A0A096M365_POEFO Loading...

LRRCT domain-containing protein

AlphaFold DB , UniProt , Accession A0A096M365, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 321 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	N	47.1	Very low	48.9	Very low	181 Å²	181	121.6 Å²	121.6	97%	0.968	62%	0.623	S	S	*	*				0	-45.9	0	-75.2	-12.1	0	0	0	114.3	L3 F4 V5	N1-L3 PolarHBondContact O-N 3.1Å; N1-F4 PolarHBondContact O-N 3.37Å; N1-V5 PolarHBondContact O-N 3.46Å
2	T	38.7	Very low	49.2	Very low	110 Å²	110	122.3 Å²	122.3	68%	0.675	61%	0.614	S	S	*	*	H	α-helix	trans	-63.9	-38.4	-178.5	-34.5	0	0	0	0	114.3	F4 V5 I6	T2-F4 VanDerWaalsContact C-N 3.31Å; T2-F4 PolarHBondContact O-N 3.36Å; T2-V5 PolarHBondContact O-N 3.47Å; T2-I6 HydrophobicContact CG2-CD1 4.49Å; T2-I6 WeakPolarHBondContact O-CG1 3.35Å; T2-I6 PolarHBondContact O-N 3.46Å
3	L	40.9	Very low	49.5	Very low	139 Å²	139	120.9 Å²	120.9	73%	0.728	62%	0.619	S	S	*	*	H	α-helix	trans	-64.4	-30.9	176.9	-107.9	117.8	0	0	0	114	N1 R7	N1-L3 PolarHBondContact O-N 3.1Å; L3-R7 PolarHBondContact O-N 3.13Å
4	F	47.5	Very low	49.6	Very low	156 Å²	156	125.7 Å²	125.7	68%	0.684	63%	0.633	S	S	*	*	H	α-helix	trans	-71.6	-39.3	178.3	-155.4	-90.6	0	0	0	110.6	N1 T2 I6 R7 F8	N1-F4 PolarHBondContact O-N 3.37Å; T2-F4 VanDerWaalsContact C-N 3.31Å; T2-F4 PolarHBondContact O-N 3.36Å; F4-I6 PolarHBondContact O-N 3.33Å; F4-R7 PolarHBondContact O-N 3.13Å; F4-F8 VanDerWaalsContact O-CB 3.24Å; F4-F8 WeakPolarHBondContact O-CB 3.43Å; F4-F8 PolarHBondContact O-N 2.8Å
5	V	52.1	Low	49.6	Very low	82 Å²	82	124.2 Å²	124.2	50%	0.497	62%	0.621	S	S	.	*	H	α-helix	trans	-63.4	-41.4	176.7	178.3	0	0	0	0	111.1	N1 T2 F8 I9	N1-V5 PolarHBondContact O-N 3.46Å; T2-V5 PolarHBondContact O-N 3.47Å; V5-F8 PolarHBondContact O-N 3.19Å; V5-I9 HydrophobicContact CG1-CD1 3.74Å; V5-I9 WeakPolarHBondContact O-CD1 3.47Å; V5-I9 VanDerWaalsContact O-CG1 3.24Å; V5-I9 WeakPolarHBondContact O-CG1 3.42Å; V5-I9 PolarHBondContact O-N 2.85Å
6	I	53.2	Low	49.8	Very low	101 Å²	101	124.4 Å²	124.4	52%	0.518	61%	0.612	S	S	.	*	H	α-helix	trans	-68.3	-45	179.7	-64.1	168.3	0	0	0	111.5	T2 F4 F8 I9 S10	T2-I6 HydrophobicContact CG2-CD1 4.49Å; T2-I6 WeakPolarHBondContact O-CG1 3.35Å; T2-I6 PolarHBondContact O-N 3.46Å; F4-I6 PolarHBondContact O-N 3.33Å; I6-F8 VanDerWaalsContact C-N 3.32Å; I6-F8 PolarHBondContact O-N 2.66Å; I6-I9 PolarHBondContact O-N 2.6Å; I6-S10 PolarHBondContact O-N 2.9Å; I6-S10 VanDerWaalsContact O-N 3.08Å
7	R	48.5	Very low	49.9	Very low	187 Å²	187	128.2 Å²	128.2	71%	0.706	62%	0.624	S	S	*	*	H	α-helix	trans	-63.3	-37.2	174.6	-88.4	-172.4	171.9	-174.5	-1.1	112.4	L3 F4 S10 L11	L3-R7 PolarHBondContact O-N 3.13Å; F4-R7 PolarHBondContact O-N 3.13Å; R7-S10 PolarHBondContact O-N 3.43Å; R7-L11 PolarHBondContact O-N 2.78Å
8	F	52.8	Low	50	Low	102 Å²	102	128.9 Å²	128.9	45%	0.447	63%	0.631	S	S	.	*	H	α-helix	trans	-66.3	-41.7	178	-161.8	-92.9	0	0	0	111.9	F4 V5 I6 S10 L11 Y12	F4-F8 VanDerWaalsContact O-CB 3.24Å; F4-F8 WeakPolarHBondContact O-CB 3.43Å; F4-F8 PolarHBondContact O-N 2.8Å; V5-F8 PolarHBondContact O-N 3.19Å; I6-F8 VanDerWaalsContact C-N 3.32Å; I6-F8 PolarHBondContact O-N 2.66Å; F8-S10 VanDerWaalsContact C-N 3.33Å; F8-S10 PolarHBondContact O-N 2.78Å; F8-L11 PolarHBondContact O-N 3.07Å; F8-Y12 HydrophobicContact CD2-CE2 4.45Å; F8-Y12 HydrophobicContact CE1-CD2 4.38Å; F8-Y12 HydrophobicContact CE2-CE2 4.15Å; F8-Y12 HydrophobicContact CZ-CD2 4.38Å; F8-Y12 HydrophobicContact CZ-CE2 4.31Å; F8-Y12 WeakPolarHBondContact O-CD2 3.48Å; F8-Y12 PolarHBondContact O-N 3.03Å
9	I	53.5	Low	50.2	Low	53 Å²	53	127.1 Å²	127.1	27%	0.272	62%	0.624	S	S	.	*	H	α-helix	trans	-70	-30.9	178	-65.5	166	0	0	0	111.7	V5 I6 L19	V5-I9 HydrophobicContact CG1-CD1 3.74Å; V5-I9 WeakPolarHBondContact O-CD1 3.47Å; V5-I9 VanDerWaalsContact O-CG1 3.24Å; V5-I9 WeakPolarHBondContact O-CG1 3.42Å; V5-I9 PolarHBondContact O-N 2.85Å; I6-I9 PolarHBondContact O-N 2.6Å; I9-L19 HydrophobicContact CD1-CD1 4.18Å
10	S	52.5	Low	50.1	Low	99 Å²	99	128.7 Å²	128.7	69%	0.692	64%	0.635	S	S	*	*	H	α-helix	trans	-66.9	-33.4	175.2	174.7	0	0	0	0	113.9	I6 R7 F8	I6-S10 PolarHBondContact O-N 2.9Å; I6-S10 VanDerWaalsContact O-N 3.08Å; R7-S10 PolarHBondContact O-N 3.43Å; F8-S10 VanDerWaalsContact C-N 3.33Å; F8-S10 PolarHBondContact O-N 2.78Å
11	L	51.3	Low	50.2	Low	128 Å²	128	126.5 Å²	126.5	67%	0.67	63%	0.625	S	S	*	*	H	α-helix	trans	-89.5	-15.9	-173.3	-75.9	162	0	0	0	113.4	R7 F8 P13	R7-L11 PolarHBondContact O-N 2.78Å; F8-L11 PolarHBondContact O-N 3.07Å; L11-P13 WeakPolarHBondContact O-CD 3.48Å
12	Y	52.5	Low	50.3	Low	129 Å²	129	121.2 Å²	121.2	51%	0.506	60%	0.603	S	S	.	*			trans	-124.3	87	-175.9	-68	-83	0	0	0	112.2	F8 K14 F15	F8-Y12 HydrophobicContact CD2-CE2 4.45Å; F8-Y12 HydrophobicContact CE1-CD2 4.38Å; F8-Y12 HydrophobicContact CE2-CE2 4.15Å; F8-Y12 HydrophobicContact CZ-CD2 4.38Å; F8-Y12 HydrophobicContact CZ-CE2 4.31Å; F8-Y12 WeakPolarHBondContact O-CD2 3.48Å; F8-Y12 PolarHBondContact O-N 3.03Å; Y12-K14 PolarHBondContact O-N 2.85Å; Y12-F15 PolarHBondContact O-N 2.87Å
13	P	53.5	Low	50.8	Low	105 Å²	105	121.3 Å²	121.3	68%	0.682	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-16.9	-174.6	21.2	-31.5	0	0	0	114.5	L11 F15 R16	L11-P13 WeakPolarHBondContact O-CD 3.48Å; P13-F15 VanDerWaalsContact C-N 3.34Å; P13-R16 WeakPolarHBondContact O-CB 2.99Å; P13-R16 PolarHBondContact O-N 3.13Å
14	K	49.7	Very low	51.2	Low	188 Å²	188	118.4 Å²	118.4	82%	0.817	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-29.9	173.7	-71.9	-175.5	177.8	179.3	0	113.1	Y12 R16	Y12-K14 PolarHBondContact O-N 2.85Å; K14-R16 VanDerWaalsContact C-N 3.33Å
15	F	50.8	Low	51.4	Low	103 Å²	103	114.4 Å²	114.4	45%	0.452	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-76.6	-19.2	178	-90	-84.3	0	0	0	113.5	Y12 P13 K17 L18	Y12-F15 PolarHBondContact O-N 2.87Å; P13-F15 VanDerWaalsContact C-N 3.34Å; F15-K17 PolarHBondContact O-N 2.88Å; F15-L18 HydrophobicContact CD1-CD1 4.28Å; F15-L18 HydrophobicContact CE1-CD1 4.48Å; F15-L18 PolarHBondContact O-N 3.47Å
16	R	51.9	Low	51.2	Low	127 Å²	127	114.7 Å²	114.7	48%	0.479	57%	0.574	S	S	.	*	G	3₁₀ helix	trans	-62.2	-30.5	178.7	-152.9	177.5	-166.3	-178.6	5.9	112.9	P13 K14	P13-R16 WeakPolarHBondContact O-CB 2.99Å; P13-R16 PolarHBondContact O-N 3.13Å; K14-R16 VanDerWaalsContact C-N 3.33Å
17	K	51.4	Low	50.8	Low	189 Å²	189	114.8 Å²	114.8	82%	0.822	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-77.8	-21.3	178.9	-80.4	-175	174.8	-177	0	114.1	F15	F15-K17 PolarHBondContact O-N 2.88Å
18	L	51.3	Low	50.6	Low	141 Å²	141	111.7 Å²	111.7	74%	0.738	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-19.9	-179.3	-84.1	154.2	0	0	0	113.2	F15	F15-L18 HydrophobicContact CD1-CD1 4.28Å; F15-L18 HydrophobicContact CE1-CD1 4.48Å; F15-L18 PolarHBondContact O-N 3.47Å
19	L	55	Low	50.2	Low	95 Å²	95	110.3 Å²	110.3	50%	0.497	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.6	-0.8	-171.3	-79.5	160.3	0	0	0	115.2	I9 L21	I9-L19 HydrophobicContact CD1-CD1 4.18Å; L19-L21 HydrophobicContact CB-CD1 4.01Å; L19-L21 HydrophobicContact CB-CG 4.34Å; L19-L21 PolarHBondContact O-N 2.02Å
20	N	48.4	Very low	49.8	Very low	159 Å²	159	110.7 Å²	110.7	85%	0.85	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.5	31.8	176.6	-101	-3.2	0	0	0	115.3	S22	N20-S22 PolarHBondContact O-N 3.36Å
21	L	50.8	Low	49.1	Very low	83 Å²	83	112 Å²	112	44%	0.435	59%	0.586	S	S	.	*			trans	-87.3	112.3	178.9	-72	161.3	0	0	0	109.8	L19 V25	L19-L21 HydrophobicContact CB-CD1 4.01Å; L19-L21 HydrophobicContact CB-CG 4.34Å; L19-L21 PolarHBondContact O-N 2.02Å; L21-V25 HydrophobicContact CD2-CB 4.39Å; L21-V25 HydrophobicContact CD2-CG1 3.84Å
22	S	49.9	Very low	48.6	Very low	70 Å²	70	112.3 Å²	112.3	49%	0.49	59%	0.588	S	S	.	*			trans	-74.1	150.9	176.4	57.6	0	0	0	0	111.5	N20 P24 V25	N20-S22 PolarHBondContact O-N 3.36Å; S22-P24 WeakPolarHBondContact O-CD 3.49Å; S22-P24 VanDerWaalsContact O-N 3.09Å; S22-V25 PolarHBondContact O-N 3.49Å
23	L	49.2	Very low	48.2	Very low	112 Å²	112	113.5 Å²	113.5	59%	0.586	60%	0.602	S	S	*	*	H	α-helix	trans	-45.9	-34.3	178	-118.9	81.6	0	0	0	115.5	V25 L26 L27	L23-V25 VanDerWaalsContact C-N 3.32Å; L23-V25 PolarHBondContact O-N 3.13Å; L23-L26 PolarHBondContact O-N 3.37Å; L23-L27 PolarHBondContact O-N 3.18Å
24	P	49.9	Very low	47.5	Very low	78 Å²	78	119.5 Å²	119.5	51%	0.506	61%	0.611	S	S	.	*	H	α-helix	trans	-65.4	-29.7	177.2	-20	32.2	0	0	0	114.1	S22 L26 L27 L28	S22-P24 WeakPolarHBondContact O-CD 3.49Å; S22-P24 VanDerWaalsContact O-N 3.09Å; P24-L26 VanDerWaalsContact C-N 3.33Å; P24-L26 PolarHBondContact O-N 3.25Å; P24-L27 PolarHBondContact O-N 3.46Å; P24-L28 PolarHBondContact O-N 3.21Å
25	V	50.3	Low	47	Very low	72 Å²	72	116.3 Å²	116.3	44%	0.436	61%	0.611	S	S	.	*	H	α-helix	trans	-71.5	-31	-178.1	-177.5	0	0	0	0	111.4	L21 S22 L23 A29	L21-V25 HydrophobicContact CD2-CB 4.39Å; L21-V25 HydrophobicContact CD2-CG1 3.84Å; S22-V25 PolarHBondContact O-N 3.49Å; L23-V25 VanDerWaalsContact C-N 3.32Å; L23-V25 PolarHBondContact O-N 3.13Å; V25-A29 PolarHBondContact O-N 2.68Å
26	L	49.1	Very low	46.3	Very low	88 Å²	88	116.7 Å²	116.7	46%	0.461	63%	0.627	S	S	.	*	H	α-helix	trans	-75.4	-28.8	173.5	-92.7	150	0	0	0	112.8	L23 P24 S30	L23-L26 PolarHBondContact O-N 3.37Å; P24-L26 VanDerWaalsContact C-N 3.33Å; P24-L26 PolarHBondContact O-N 3.25Å; L26-S30 PolarHBondContact O-N 3.42Å
27	L	44.8	Very low	45.9	Very low	102 Å²	102	115.2 Å²	115.2	53%	0.534	64%	0.636	S	S	.	*	H	α-helix	trans	-77.1	-35.4	176.7	-93.5	150.9	0	0	0	112.2	L23 P24 A29 S30 L31	L23-L27 PolarHBondContact O-N 3.18Å; P24-L27 PolarHBondContact O-N 3.46Å; L27-A29 VanDerWaalsContact C-N 3.29Å; L27-A29 PolarHBondContact O-N 3.07Å; L27-S30 WeakPolarHBondContact CA-OG 3.46Å; L27-S30 PolarHBondContact O-N 3.19Å; L27-S30 PolarHBondContact O-OG 3.2Å; L27-L31 PolarHBondContact O-N 3Å
28	L	43.7	Very low	45.6	Very low	122 Å²	122	111.2 Å²	111.2	64%	0.639	63%	0.632	S	S	*	*	H	α-helix	trans	-64.5	-34.3	170.6	-73.1	169.5	0	0	0	112.1	P24 S30 L31	P24-L28 PolarHBondContact O-N 3.21Å; L28-S30 PolarHBondContact O-N 2.8Å; L28-L31 PolarHBondContact O-N 2.69Å
29	A	45.5	Very low	45.5	Very low	73 Å²	73	109 Å²	109	60%	0.603	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-7.7	171.7	0	0	0	0	0	114.2	V25 L27	V25-A29 PolarHBondContact O-N 2.68Å; L27-A29 VanDerWaalsContact C-N 3.29Å; L27-A29 PolarHBondContact O-N 3.07Å
30	S	44.7	Very low	45.5	Very low	61 Å²	61	106.8 Å²	106.8	43%	0.427	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.6	-5.5	176.3	68.1	0	0	0	0	114	L26 L27 L28	L26-S30 PolarHBondContact O-N 3.42Å; L27-S30 WeakPolarHBondContact CA-OG 3.46Å; L27-S30 PolarHBondContact O-N 3.19Å; L27-S30 PolarHBondContact O-OG 3.2Å; L28-S30 PolarHBondContact O-N 2.8Å
31	L	38.2	Very low	46.4	Very low	128 Å²	128	104.1 Å²	104.1	67%	0.67	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-4.5	176.5	-85.3	156.4	0	0	0	113.5	L27 L28 L33	L27-L31 PolarHBondContact O-N 3Å; L28-L31 PolarHBondContact O-N 2.69Å; L31-L33 PolarHBondContact O-N 3.28Å
32	D	38.9	Very low	47.6	Very low	134 Å²	134	102.4 Å²	102.4	72%	0.717	61%	0.605	S	S	*	*			trans	-76.3	56	157.6	-67.1	-32.6	0	0	0	109.8	W34	D32-W34 PolarHBondContact O-N 3.5Å
33	L	45.9	Very low	49.1	Very low	154 Å²	154	100.6 Å²	100.6	81%	0.806	59%	0.592	S	S	*	*			trans	-75.8	61.3	158.9	-126	104.9	0	0	0	107.6	L31	L31-L33 PolarHBondContact O-N 3.28Å
34	W	39	Very low	50.5	Low	231 Å²	231	105 Å²	105	88%	0.875	61%	0.609	S	S	*	*			trans	-109.4	113.7	168.4	-83.5	0.8	0	0	0	108.8	D32 S36	D32-W34 PolarHBondContact O-N 3.5Å; W34-S36 PolarHBondContact O-N 2.82Å
35	C	38.1	Very low	52	Low	120 Å²	120	104.8 Å²	104.8	81%	0.811	61%	0.61	S	S	*	*			trans	-11.1	98.1	169.4	-78.7	0	0	0	0	114.5	S37	C35-S37 PolarHBondContact O-N 3.31Å
36	S	36.5	Very low	53.9	Low	111 Å²	111	102.1 Å²	102.1	78%	0.776	59%	0.594	S	S	*	*			trans	-89.8	55.9	160.9	38.7	0	0	0	0	110.2	W34 S38	W34-S36 PolarHBondContact O-N 2.82Å; S36-S38 PolarHBondContact O-N 2.99Å
37	S	43.3	Very low	55.8	Low	97 Å²	97	103.1 Å²	103.1	68%	0.678	60%	0.599	S	S	*	*			trans	-77.9	63.5	142.6	60	0	0	0	0	107.2	C35 S39	C35-S37 PolarHBondContact O-N 3.31Å; S37-S39 PolarHBondContact O-N 2.99Å
38	S	44.6	Very low	57.8	Low	104 Å²	104	100.7 Å²	100.7	73%	0.727	59%	0.59	S	S	*	*			trans	-76.8	81.8	177.5	61.1	0	0	0	0	108.1	S36	S36-S38 PolarHBondContact O-N 2.99Å
39	S	49.8	Very low	59.6	Low	94 Å²	94	103.9 Å²	103.9	66%	0.657	59%	0.593	S	S	*	*			trans	-46.3	144.2	146.4	44.9	0	0	0	0	108.4	S37	S37-S39 PolarHBondContact O-N 2.99Å
40	P	54.9	Low	61	Low	50 Å²	50	103.8 Å²	103.8	33%	0.325	60%	0.6	S	S	.	*			trans	-54.3	140.4	177.1	26.6	-35.3	0	0	0	108.5	C42 Q69	P40-C42 PolarHBondContact O-N 3.26Å; P40-Q69 HydrophobicContact CB-CB 3.88Å; P40-Q69 HydrophobicContact CB-CG 4.12Å; P40-Q69 HydrophobicContact CG-CB 4.5Å
41	P	66.6	Low	62.1	Low	103 Å²	103	103.4 Å²	103.4	67%	0.669	60%	0.6	S	S	*	*			trans	-59	107.7	179.8	24.5	-31.8	0	0	0	107.5
42	C	76.8	Confident	64.3	Low	46 Å²	46	101.8 Å²	101.8	31%	0.311	59%	0.592	S	S	.	*			trans	-58.3	133	173.9	-162.1	0	0	0	0	107.4	P40 E44 C46 C48	P40-C42 PolarHBondContact O-N 3.26Å; C42-E44 PolarHBondContact O-N 3.32Å; C42-C46 PolarHBondContact SG-O 3.14Å; C42-C46 VanDerWaalsContact SG-O 3.32Å; C42-C48 VanDerWaalsContact CA-SG 3.5Å; C42-C48 HydrophobicContact CB-CB 3.8Å; C42-C48 WeakPolarHBondContact CB-SG 3.25Å; C42-C48 WeakPolarHBondContact SG-CB 3.26Å; C42-C48 PolarHBondContact SG-N 2.97Å; C42-C48 CovalentContact SG-SG 2.04Å; C42-C48 PolarHBondContact SG-SG 3.37Å
43	P	81.3	Confident	66.8	Low	32 Å²	32	97.2 Å²	97.2	21%	0.208	57%	0.567	C	S	.	*			trans	-53.3	138.3	174.6	-21.2	30.2	0	0	0	109.8	S45 C46 L54 P65	P43-S45 PolarHBondContact O-N 3.49Å; P43-C46 HydrophobicContact CB-CB 4.11Å; P43-C46 HydrophobicContact CG-CB 4.32Å; P43-C46 PolarHBondContact O-N 3.2Å; P43-L54 HydrophobicContact CG-CD1 4.19Å; P43-P65 HydrophobicContact CB-CB 4.25Å; P43-P65 HydrophobicContact CG-CB 4.29Å
44	E	78.5	Confident	69	Low	205 Å²	205	90.1 Å²	90.1	96%	0.958	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-31.1	-172.5	-69.2	-172.7	164.6	0	0	113.3	C42 C46	C42-E44 PolarHBondContact O-N 3.32Å; E44-C46 VanDerWaalsContact C-N 3.29Å; E44-C46 PolarHBondContact O-N 2.96Å
45	S	82.3	Confident	71.6	Confident	74 Å²	74	81.4 Å²	81.4	52%	0.517	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4.8	178.6	-43.2	0	0	0	0	114.1	P43 A59	P43-S45 PolarHBondContact O-N 3.49Å; S45-A59 WeakPolarHBondContact O-CB 3.13Å
46	C	88.8	Confident	74.3	Confident	15 Å²	15	75.8 Å²	75.8	10%	0.101	46%	0.462	C	S	.	.	S	Bend	trans	-127.1	157.3	-172.6	-54.6	0	0	0	0	112.4	C42 P43 E44 L54 N55 C56	C42-C46 PolarHBondContact SG-O 3.14Å; C42-C46 VanDerWaalsContact SG-O 3.32Å; P43-C46 HydrophobicContact CB-CB 4.11Å; P43-C46 HydrophobicContact CG-CB 4.32Å; P43-C46 PolarHBondContact O-N 3.2Å; E44-C46 VanDerWaalsContact C-N 3.29Å; E44-C46 PolarHBondContact O-N 2.96Å; C46-L54 HydrophobicContact CB-CD1 3.67Å; C46-N55 CarbonylContact C-O 3.36Å; C46-N55 VanDerWaalsContact CA-O 3.31Å; C46-N55 WeakPolarHBondContact CA-O 3.39Å; C46-N55 WeakPolarHBondContact CB-O 3.46Å; C46-C56 HydrophobicContact CB-CB 4.02Å; C46-C56 WeakPolarHBondContact CB-SG 3.48Å; C46-C56 WeakPolarHBondContact SG-CB 3.44Å; C46-C56 CovalentContact SG-SG 2.02Å; C46-C56 PolarHBondContact SG-SG 3.04Å
47	I	89.3	Confident	77.2	Confident	110 Å²	110	72.1 Å²	72.1	56%	0.564	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.8	176.2	-58.4	172	0	0	0	108.3	R49 N55	I47-R49 HydrophobicContact CG2-CG 4.47Å; I47-N55 PolarHBondContact N-O 3.24Å; I47-N55 PolarHBondContact O-N 2.76Å
48	C	87.3	Confident	79.7	Confident	51 Å²	51	71.6 Å²	71.6	35%	0.345	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.2	175.5	-60.5	0	0	0	0	109.7	C42 L53 L54	C42-C48 VanDerWaalsContact CA-SG 3.5Å; C42-C48 HydrophobicContact CB-CB 3.8Å; C42-C48 WeakPolarHBondContact CB-SG 3.25Å; C42-C48 WeakPolarHBondContact SG-CB 3.26Å; C42-C48 PolarHBondContact SG-N 2.97Å; C42-C48 CovalentContact SG-SG 2.04Å; C42-C48 PolarHBondContact SG-SG 3.37Å; C48-L53 WeakPolarHBondContact CA-O 3.39Å; C48-L54 WeakPolarHBondContact SG-CD1 3.46Å
49	R	81.1	Confident	82.1	Confident	188 Å²	188	68 Å²	68	71%	0.709	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	109	172.8	-66.2	-171.7	180	-174.2	1.2	109.4	I47 L53	I47-R49 HydrophobicContact CG2-CG 4.47Å; R49-L53 HydrophobicContact CB-CB 4.36Å; R49-L53 HydrophobicContact CB-CD2 4.2Å; R49-L53 HydrophobicContact CG-CD2 4.42Å; R49-L53 PolarHBondContact N-O 2.83Å; R49-L53 PolarHBondContact O-N 3.34Å
50	G	74.7	Confident	84.2	Confident	72 Å²	72	66 Å²	66	74%	0.742	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	-153.8	-171.1	0	0	0	0	0	111.6
51	A	68.9	Low	86	Confident	52 Å²	52	64.8 Å²	64.8	43%	0.43	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	0.5	179	0	0	0	0	0	113.8	P71	A51-P71 HydrophobicContact CB-CG 4.17Å; A51-P71 CarbonylContact O-C 3.47Å
52	L	84.1	Confident	87.2	Confident	95 Å²	95	63.3 Å²	63.3	50%	0.497	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-31.5	-164.9	-60	180	0	0	0	114	P71 A73 E74	L52-P71 HydrophobicContact CD2-CG 4.44Å; L52-P71 WeakPolarHBondContact CD2-O 2.99Å; L52-A73 HydrophobicContact CB-CB 4.35Å; L52-A73 HydrophobicContact CD2-CB 4.41Å; L52-A73 PolarHBondContact O-N 3.41Å; L52-E74 PolarHBondContact O-N 3.49Å
53	L	90.7	Very high	87.7	Confident	37 Å²	37	66 Å²	66	19%	0.194	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	122.6	-178.2	174.8	65.5	0	0	0	111.1	C48 R49 E74 W98	C48-L53 WeakPolarHBondContact CA-O 3.39Å; R49-L53 HydrophobicContact CB-CB 4.36Å; R49-L53 HydrophobicContact CB-CD2 4.2Å; R49-L53 HydrophobicContact CG-CD2 4.42Å; R49-L53 PolarHBondContact N-O 2.83Å; R49-L53 PolarHBondContact O-N 3.34Å; L53-E74 WeakPolarHBondContact CA-O 3.32Å; L53-E74 HydrophobicContact CB-CB 4.32Å; L53-E74 HydrophobicContact CD1-CB 3.52Å; L53-W98 HydrophobicContact CD1-CZ3 4.35Å
54	L	92.6	Very high	88	Confident	6 Å²	6	65.2 Å²	65.2	3%	0.031	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	104.8	168.9	175.8	59.7	0	0	0	108.9	P43 C46 C48 I68 I72 E74 L75 D76	P43-L54 HydrophobicContact CG-CD1 4.19Å; C46-L54 HydrophobicContact CB-CD1 3.67Å; C48-L54 WeakPolarHBondContact SG-CD1 3.46Å; L54-I68 HydrophobicContact CD2-CG1 4.32Å; L54-I68 HydrophobicContact CD2-CG2 3.94Å; L54-I72 HydrophobicContact CB-CG2 4.19Å; L54-E74 PolarHBondContact N-O 3.3Å; L54-L75 HydrophobicContact CB-CD1 4.09Å; L54-L75 HydrophobicContact CD2-CD1 3.79Å; L54-L75 HydrophobicContact CG-CD1 3.85Å; L54-L75 WeakPolarHBondContact O-CA 2.93Å; L54-D76 PolarHBondContact O-N 2.02Å
55	N	94.1	Very high	88.3	Confident	48 Å²	48	56.3 Å²	56.3	26%	0.257	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	112.8	179.1	-171.8	-36.9	0	0	0	111.2	C46 I47 S57 D76	C46-N55 CarbonylContact C-O 3.36Å; C46-N55 VanDerWaalsContact CA-O 3.31Å; C46-N55 WeakPolarHBondContact CA-O 3.39Å; C46-N55 WeakPolarHBondContact CB-O 3.46Å; I47-N55 PolarHBondContact N-O 3.24Å; I47-N55 PolarHBondContact O-N 2.76Å; N55-S57 VanDerWaalsContact OD1-CB 3.28Å; N55-S57 WeakPolarHBondContact OD1-CB 3.22Å; N55-S57 PolarHBondContact OD1-N 2.64Å; N55-D76 HydrophobicContact CB-CB 4.31Å; N55-D76 PolarHBondContact ND2-OD2 2.9Å; N55-D76 VanDerWaalsContact ND2-OD2 3.1Å
56	C	94.9	Very high	88.1	Confident	1 Å²	1	56 Å²	56	1%	0.007	34%	0.342	C	S	.	.			trans	-118.2	25.3	177.5	-57.2	0	0	0	0	111.2	C46 A59 L61 D76 L77 N80	C46-C56 HydrophobicContact CB-CB 4.02Å; C46-C56 WeakPolarHBondContact CB-SG 3.48Å; C46-C56 WeakPolarHBondContact SG-CB 3.44Å; C46-C56 CovalentContact SG-SG 2.02Å; C46-C56 PolarHBondContact SG-SG 3.04Å; C56-A59 WeakPolarHBondContact O-CB 3.44Å; C56-L61 HydrophobicContact CB-CD1 3.67Å; C56-D76 CarbonylContact C-O 3.31Å; C56-D76 WeakPolarHBondContact CA-O 3.4Å; C56-D76 WeakPolarHBondContact CB-O 3.02Å; C56-D76 PolarHBondContact N-O 3.5Å; C56-L77 HydrophobicContact CB-CD2 3.86Å; C56-N80 PolarHBondContact O-ND2 2.89Å
57	S	96.6	Very high	87.6	Confident	34 Å²	34	59.2 Å²	59.2	24%	0.238	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	140.9	-179.7	-173.2	0	0	0	0	110.9	N55 A59 D76 S78	N55-S57 VanDerWaalsContact OD1-CB 3.28Å; N55-S57 WeakPolarHBondContact OD1-CB 3.22Å; N55-S57 PolarHBondContact OD1-N 2.64Å; S57-A59 PolarHBondContact O-N 2.85Å; S57-A59 VanDerWaalsContact O-N 3.09Å; S57-D76 PolarHBondContact N-O 3.43Å; S57-S78 VanDerWaalsContact CA-O 3.23Å; S57-S78 WeakPolarHBondContact CA-O 3.31Å; S57-S78 WeakPolarHBondContact CB-OG 3.27Å; S57-S78 PolarHBondContact OG-O 3.43Å; S57-S78 PolarHBondContact OG-OG 3.43Å
58	S	96.8	Very high	87.2	Confident	87 Å²	87	54.1 Å²	54.1	61%	0.608	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	23	178	-52.1	0	0	0	0	114.7	G60 S78 H79	S58-G60 VanDerWaalsContact C-N 3.28Å; S58-G60 PolarHBondContact O-N 3.45Å; S58-S78 PolarHBondContact N-O 3.08Å; S58-S78 VanDerWaalsContact N-O 3.12Å; S58-H79 VanDerWaalsContact CA-O 3.31Å; S58-H79 WeakPolarHBondContact CA-O 3.44Å; S58-H79 PolarHBondContact N-O 3.16Å; S58-H79 WeakPolarHBondContact OG-CB 3.49Å
59	A	94.7	Very high	86.6	Confident	29 Å²	29	55.7 Å²	55.7	24%	0.24	34%	0.339	C	S	.	.	S	Bend	trans	-82.7	-1.1	-177.2	0	0	0	0	0	113.8	S45 C56 S57 L61 N80	S45-A59 WeakPolarHBondContact O-CB 3.13Å; C56-A59 WeakPolarHBondContact O-CB 3.44Å; S57-A59 PolarHBondContact O-N 2.85Å; S57-A59 VanDerWaalsContact O-N 3.09Å; A59-L61 VanDerWaalsContact C-N 3.32Å; A59-L61 HydrophobicContact CB-CD1 3.99Å; A59-L61 HydrophobicContact CB-CD2 4.41Å; A59-L61 HydrophobicContact CB-CG 3.78Å; A59-N80 PolarHBondContact N-OD1 2.84Å
60	G	94.1	Very high	86.5	Confident	52 Å²	52	49.7 Å²	49.7	54%	0.536	32%	0.321	S	S	.	.			trans	72.5	24	-178.7	0	0	0	0	0	113.6	S58 N80	S58-G60 VanDerWaalsContact C-N 3.28Å; S58-G60 PolarHBondContact O-N 3.45Å; G60-N80 PolarHBondContact N-OD1 2.79Å
61	L	92.6	Very high	86.8	Confident	23 Å²	23	49.1 Å²	49.1	12%	0.12	30%	0.304	C	S	.	.			trans	-74.1	129.3	-174	-61.9	170.1	0	0	0	111.6	C56 A59 P65 L77 N80 L81 L82	C56-L61 HydrophobicContact CB-CD1 3.67Å; A59-L61 VanDerWaalsContact C-N 3.32Å; A59-L61 HydrophobicContact CB-CD1 3.99Å; A59-L61 HydrophobicContact CB-CD2 4.41Å; A59-L61 HydrophobicContact CB-CG 3.78Å; L61-P65 HydrophobicContact CD1-CG 4.26Å; L61-L77 HydrophobicContact CD1-CD2 3.94Å; L61-N80 HydrophobicContact CB-CB 4.16Å; L61-N80 WeakPolarHBondContact CB-OD1 3.35Å; L61-N80 PolarHBondContact N-OD1 3.37Å; L61-L81 CarbonylContact O-C 3.53Å; L61-L81 WeakPolarHBondContact O-CA 3.49Å; L61-L81 PolarHBondContact O-N 3.42Å; L61-L82 HydrophobicContact CB-CD2 4.25Å
62	S	91.4	Very high	87.7	Confident	73 Å²	73	47.1 Å²	47.1	51%	0.51	29%	0.286	S	S	.	.	S	Bend	trans	-96.4	-13.1	167.7	61.6	0	0	0	0	113.1
63	L	87.7	Confident	88.1	Confident	103 Å²	103	43.2 Å²	43.2	54%	0.539	27%	0.268	S	S	.	.	S	Bend	trans	-139.6	151.8	179.4	-66.4	167.6	0	0	0	109.3
64	V	87.2	Confident	88.3	Confident	15 Å²	15	45 Å²	45	9%	0.091	28%	0.275	C	S	.	.			trans	-60.1	128	172.6	179.5	0	0	0	0	108.8	I68 L77 L82 V85	V64-I68 HydrophobicContact CG1-CD1 3.66Å; V64-L77 HydrophobicContact CG1-CD1 4.22Å; V64-L77 HydrophobicContact CG2-CD1 4.23Å; V64-L82 HydrophobicContact CG2-CD1 4.46Å; V64-V85 HydrophobicContact CG2-CG1 4.09Å
65	P	85	Confident	88.4	Confident	17 Å²	17	44.7 Å²	44.7	11%	0.11	27%	0.274	C	S	.	.			trans	-65.6	141	-178.5	26.9	-32.9	0	0	0	110	P43 L61 I68 L77	P43-P65 HydrophobicContact CB-CB 4.25Å; P43-P65 HydrophobicContact CG-CB 4.29Å; L61-P65 HydrophobicContact CD1-CG 4.26Å; P65-I68 WeakPolarHBondContact O-CG1 3.46Å; P65-L77 HydrophobicContact CG-CD2 4.25Å
66	Q	78.1	Confident	88.5	Confident	67 Å²	67	43.5 Å²	43.5	31%	0.313	27%	0.267	S	S	.	.	S	Bend	trans	-135	144.4	-179.6	-64.2	-67	-23.7	0	0	110.3	A86 H88	Q66-A86 PolarHBondContact NE2-O 3.25Å; Q66-H88 WeakPolarHBondContact CG-ND1 3.35Å; Q66-H88 PolarHBondContact NE2-ND1 3.37Å
67	P	77.2	Confident	88.5	Confident	84 Å²	84	43.4 Å²	43.4	55%	0.545	27%	0.267	S	S	.	.	P	Polyproline II helix	cis	-80.6	138.7	-2.3	32.1	-33.1	0	0	0	112.3
68	I	80.7	Confident	88.6	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-85.1	122.8	164.2	-57	-174.2	0	0	0	107.4	L54 V64 P65 I72 L75 F87 Q89 H91	L54-I68 HydrophobicContact CD2-CG1 4.32Å; L54-I68 HydrophobicContact CD2-CG2 3.94Å; V64-I68 HydrophobicContact CG1-CD1 3.66Å; P65-I68 WeakPolarHBondContact O-CG1 3.46Å; I68-I72 HydrophobicContact CG2-CD1 3.25Å; I68-I72 HydrophobicContact CG2-CG1 4Å; I68-L75 HydrophobicContact CD1-CD1 4.47Å; I68-L75 HydrophobicContact CD1-CD2 3.74Å; I68-F87 HydrophobicContact CD1-CD1 4.44Å; I68-F87 HydrophobicContact CD1-CE1 4.35Å; I68-Q89 PolarHBondContact O-NE2 2.96Å; I68-H91 PolarHBondContact O-CE1 3.49Å
69	Q	76.3	Confident	88.7	Confident	85 Å²	85	43.1 Å²	43.1	40%	0.397	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-99	136.6	-179.1	-59.4	-167	16.8	0	0	111	P40 I72	P40-Q69 HydrophobicContact CB-CB 3.88Å; P40-Q69 HydrophobicContact CB-CG 4.12Å; P40-Q69 HydrophobicContact CG-CB 4.5Å; Q69-I72 WeakPolarHBondContact O-CG2 3.15Å
70	D	77.3	Confident	88.8	Confident	61 Å²	61	42.2 Å²	42.2	33%	0.326	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	155	168.7	-72	-40.8	0	0	0	110.8	H91	D70-H91 IonicContact OD1-CG 3.47Å; D70-H91 IonicContact OD1-ND1 3.67Å; D70-H91 PolarHBondContact OD1-ND1 3.04Å
71	P	82.3	Confident	88.9	Confident	60 Å²	60	45.2 Å²	45.2	39%	0.39	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	cis	-103.1	56.7	16.6	40.4	-35.6	0	0	0	114.1	A51 L52 A73	A51-P71 HydrophobicContact CB-CG 4.17Å; A51-P71 CarbonylContact O-C 3.47Å; L52-P71 HydrophobicContact CD2-CG 4.44Å; L52-P71 WeakPolarHBondContact CD2-O 2.99Å; P71-A73 PolarHBondContact O-N 3.34Å
72	I	87.9	Confident	88.9	Confident	10 Å²	10	44.1 Å²	44.1	5%	0.051	24%	0.242	C	C	.	.			trans	-58.2	135.4	177.9	55.9	153.5	0	0	0	111.7	L54 I68 Q69 L75 N93 L94	L54-I72 HydrophobicContact CB-CG2 4.19Å; I68-I72 HydrophobicContact CG2-CD1 3.25Å; I68-I72 HydrophobicContact CG2-CG1 4Å; Q69-I72 WeakPolarHBondContact O-CG2 3.15Å; I72-L75 HydrophobicContact CD1-CB 4.34Å; I72-L75 HydrophobicContact CD1-CD2 4.43Å; I72-N93 CarbonylContact O-C 3.48Å; I72-L94 HydrophobicContact CD1-CD1 4.12Å; I72-L94 PolarHBondContact O-N 3.43Å
73	A	91.9	Very high	88.8	Confident	14 Å²	14	43.9 Å²	43.9	12%	0.116	24%	0.241	C	C	.	.	S	Bend	trans	-109.5	-21	173.1	0	0	0	0	0	111.8	L52 P71 N93 R95 N96	L52-A73 HydrophobicContact CB-CB 4.35Å; L52-A73 HydrophobicContact CD2-CB 4.41Å; L52-A73 PolarHBondContact O-N 3.41Å; P71-A73 PolarHBondContact O-N 3.34Å; A73-N93 WeakPolarHBondContact CA-O 3.17Å; A73-R95 PolarHBondContact O-N 2.65Å; A73-N96 PolarHBondContact O-N 3.44Å
74	E	94.4	Very high	88.7	Confident	74 Å²	74	40.7 Å²	40.7	35%	0.346	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	121.9	-172.9	-67.5	-176.3	-148	0	0	109.7	L52 L53 L54 N96 W98	L52-E74 PolarHBondContact O-N 3.49Å; L53-E74 WeakPolarHBondContact CA-O 3.32Å; L53-E74 HydrophobicContact CB-CB 4.32Å; L53-E74 HydrophobicContact CD1-CB 3.52Å; L54-E74 PolarHBondContact N-O 3.3Å; E74-N96 HydrophobicContact CG-CB 4.18Å; E74-W98 HydrophobicContact CB-CH2 4.03Å; E74-W98 HydrophobicContact CB-CZ3 3.81Å; E74-W98 HydrophobicContact CG-CH2 4.06Å; E74-W98 HydrophobicContact CG-CZ3 4.35Å
75	L	94.3	Very high	88.6	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	110.4	179.9	177.4	54.7	0	0	0	110.3	L54 I68 I72 L77 F87 L94 N96 L97 W98	L54-L75 HydrophobicContact CB-CD1 4.09Å; L54-L75 HydrophobicContact CD2-CD1 3.79Å; L54-L75 HydrophobicContact CG-CD1 3.85Å; L54-L75 WeakPolarHBondContact O-CA 2.93Å; I68-L75 HydrophobicContact CD1-CD1 4.47Å; I68-L75 HydrophobicContact CD1-CD2 3.74Å; I72-L75 HydrophobicContact CD1-CB 4.34Å; I72-L75 HydrophobicContact CD1-CD2 4.43Å; L75-L77 HydrophobicContact CD1-CD1 4.29Å; L75-L77 HydrophobicContact CD1-CD2 4.3Å; L75-L77 HydrophobicContact CD1-CG 3.96Å; L75-L77 HydrophobicContact CD2-CD1 3.87Å; L75-L77 HydrophobicContact CD2-CG 4.42Å; L75-L77 HydrophobicContact CG-CD1 3.94Å; L75-L77 HydrophobicContact CG-CG 3.96Å; L75-F87 HydrophobicContact CD2-CE1 3.93Å; L75-F87 HydrophobicContact CD2-CZ 4.48Å; L75-L94 HydrophobicContact CB-CD1 3.72Å; L75-N96 PolarHBondContact N-O 3.32Å; L75-L97 HydrophobicContact CB-CD1 4.1Å; L75-L97 HydrophobicContact CD2-CD1 3.92Å; L75-L97 HydrophobicContact CG-CD1 3.94Å; L75-L97 WeakPolarHBondContact O-CA 3.43Å; L75-W98 PolarHBondContact O-N 3.1Å
76	D	96.6	Very high	88.3	Confident	22 Å²	22	40.5 Å²	40.5	12%	0.118	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	109.5	177.2	-174.6	-0.1	0	0	0	110.4	L54 N55 C56 S57 S78 W98	L54-D76 PolarHBondContact O-N 2.02Å; N55-D76 HydrophobicContact CB-CB 4.31Å; N55-D76 PolarHBondContact ND2-OD2 2.9Å; N55-D76 VanDerWaalsContact ND2-OD2 3.1Å; C56-D76 CarbonylContact C-O 3.31Å; C56-D76 WeakPolarHBondContact CA-O 3.4Å; C56-D76 WeakPolarHBondContact CB-O 3.02Å; C56-D76 PolarHBondContact N-O 3.5Å; S57-D76 PolarHBondContact N-O 3.43Å; D76-S78 WeakPolarHBondContact OD1-CB 3.23Å; D76-S78 PolarHBondContact OD1-N 2.9Å; D76-S78 PolarHBondContact OD1-OG 3.36Å; D76-W98 HydrophobicContact CB-CB 4.49Å; D76-W98 HydrophobicContact CB-CD2 4.5Å; D76-W98 HydrophobicContact CB-CE3 3.71Å; D76-W98 HydrophobicContact CB-CZ3 4.32Å
77	L	96.1	Very high	88.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.213	C	C	.	.			trans	-116.6	19.2	176.1	-68.4	167.5	0	0	0	111	C56 L61 V64 P65 L75 N80 L82 L97 W98 L99 N102	C56-L77 HydrophobicContact CB-CD2 3.86Å; L61-L77 HydrophobicContact CD1-CD2 3.94Å; V64-L77 HydrophobicContact CG1-CD1 4.22Å; V64-L77 HydrophobicContact CG2-CD1 4.23Å; P65-L77 HydrophobicContact CG-CD2 4.25Å; L75-L77 HydrophobicContact CD1-CD1 4.29Å; L75-L77 HydrophobicContact CD1-CD2 4.3Å; L75-L77 HydrophobicContact CD1-CG 3.96Å; L75-L77 HydrophobicContact CD2-CD1 3.87Å; L75-L77 HydrophobicContact CD2-CG 4.42Å; L75-L77 HydrophobicContact CG-CD1 3.94Å; L75-L77 HydrophobicContact CG-CG 3.96Å; L77-N80 PolarHBondContact O-ND2 3.38Å; L77-L82 HydrophobicContact CB-CD1 4Å; L77-L82 HydrophobicContact CD1-CD1 4.33Å; L77-L97 HydrophobicContact CD1-CD1 4.36Å; L77-W98 CarbonylContact C-O 3.58Å; L77-W98 WeakPolarHBondContact CA-O 3.35Å; L77-W98 PolarHBondContact N-O 3.42Å; L77-L99 HydrophobicContact CB-CD2 3.94Å; L77-L99 HydrophobicContact CD1-CD2 4Å; L77-N102 PolarHBondContact O-ND2 3.35Å
78	S	98	Very high	88.2	Confident	14 Å²	14	36.8 Å²	36.8	10%	0.098	20%	0.203	C	C	.	.			trans	-65.4	160.2	-178.1	63.1	0	0	0	0	112.9	S57 S58 D76 N80 W98 G100	S57-S78 VanDerWaalsContact CA-O 3.23Å; S57-S78 WeakPolarHBondContact CA-O 3.31Å; S57-S78 WeakPolarHBondContact CB-OG 3.27Å; S57-S78 PolarHBondContact OG-O 3.43Å; S57-S78 PolarHBondContact OG-OG 3.43Å; S58-S78 PolarHBondContact N-O 3.08Å; S58-S78 VanDerWaalsContact N-O 3.12Å; D76-S78 WeakPolarHBondContact OD1-CB 3.23Å; D76-S78 PolarHBondContact OD1-N 2.9Å; D76-S78 PolarHBondContact OD1-OG 3.36Å; S78-N80 VanDerWaalsContact C-N 3.34Å; S78-N80 PolarHBondContact O-N 3.43Å; S78-N80 PolarHBondContact O-ND2 2.81Å; S78-W98 PolarHBondContact N-O 3.02Å; S78-G100 CarbonylContact C-O 3.27Å; S78-G100 WeakPolarHBondContact CA-O 2.98Å; S78-G100 WeakPolarHBondContact CB-O 3.33Å
79	H	98.1	Very high	87.9	Confident	101 Å²	101	40.3 Å²	40.3	47%	0.468	22%	0.219	S	C	.	.	S	Bend	trans	55.8	44.7	175.8	-58.2	-83.7	0	0	0	113.7	S58 G100 N101	S58-H79 VanDerWaalsContact CA-O 3.31Å; S58-H79 WeakPolarHBondContact CA-O 3.44Å; S58-H79 PolarHBondContact N-O 3.16Å; S58-H79 WeakPolarHBondContact OG-CB 3.49Å; H79-G100 PolarHBondContact N-O 3.24Å; H79-N101 VanDerWaalsContact CA-O 3.25Å; H79-N101 WeakPolarHBondContact CA-O 3.09Å; H79-N101 PolarHBondContact N-O 3.48Å; H79-N101 PolarHBondContact ND1-ND2 2.57Å
80	N	97.1	Very high	88.1	Confident	9 Å²	9	39 Å²	39	5%	0.048	22%	0.218	C	C	.	.	S	Bend	trans	-121.6	-167.8	178.4	-79.6	-62.8	0	0	0	110.6	C56 A59 G60 L61 L77 S78 L82 N101 N102	C56-N80 PolarHBondContact O-ND2 2.89Å; A59-N80 PolarHBondContact N-OD1 2.84Å; G60-N80 PolarHBondContact N-OD1 2.79Å; L61-N80 HydrophobicContact CB-CB 4.16Å; L61-N80 WeakPolarHBondContact CB-OD1 3.35Å; L61-N80 PolarHBondContact N-OD1 3.37Å; L77-N80 PolarHBondContact O-ND2 3.38Å; S78-N80 VanDerWaalsContact C-N 3.34Å; S78-N80 PolarHBondContact O-N 3.43Å; S78-N80 PolarHBondContact O-ND2 2.81Å; N80-L82 HydrophobicContact CB-CG 4.19Å; N80-N101 PolarHBondContact N-O 3.06Å; N80-N102 WeakPolarHBondContact CA-OD1 3.31Å; N80-N102 WeakPolarHBondContact CB-OD1 3.26Å; N80-N102 PolarHBondContact N-OD1 2.95Å; N80-N102 PolarHBondContact O-OD1 3.44Å
81	L	96.1	Very high	88.4	Confident	115 Å²	115	36.1 Å²	36.1	60%	0.602	20%	0.203	S	C	*	.			trans	-114.2	27.3	-178.2	-58.1	173.6	0	0	0	111.4	L61 S83 N102	L61-L81 CarbonylContact O-C 3.53Å; L61-L81 WeakPolarHBondContact O-CA 3.49Å; L61-L81 PolarHBondContact O-N 3.42Å; L81-S83 PolarHBondContact O-N 3.07Å; L81-N102 PolarHBondContact N-OD1 3.05Å
82	L	93.1	Very high	88.6	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.			trans	-66.9	129.2	-176.5	-57.4	179.2	0	0	0	110.5	L61 V64 L77 N80 L99 N102 S103 I104	L61-L82 HydrophobicContact CB-CD2 4.25Å; V64-L82 HydrophobicContact CG2-CD1 4.46Å; L77-L82 HydrophobicContact CB-CD1 4Å; L77-L82 HydrophobicContact CD1-CD1 4.33Å; N80-L82 HydrophobicContact CB-CG 4.19Å; L82-L99 HydrophobicContact CD1-CD2 4.04Å; L82-N102 HydrophobicContact CB-CB 4.24Å; L82-N102 VanDerWaalsContact CB-OD1 3.25Å; L82-N102 WeakPolarHBondContact CB-OD1 3.25Å; L82-N102 VanDerWaalsContact CG-OD1 3.27Å; L82-N102 WeakPolarHBondContact CG-OD1 3.1Å; L82-N102 PolarHBondContact N-OD1 3.19Å; L82-S103 CarbonylContact O-C 3.52Å; L82-S103 WeakPolarHBondContact O-CA 3.48Å; L82-S103 PolarHBondContact O-N 2.82Å; L82-I104 HydrophobicContact CB-CG1 4.45Å; L82-I104 WeakPolarHBondContact O-CG1 2.99Å; L82-I104 PolarHBondContact O-N 3.42Å
83	S	90	Very high	88.6	Confident	69 Å²	69	40 Å²	40	48%	0.483	23%	0.225	S	C	.	.	S	Bend	trans	-98.9	-15.2	170	58.6	0	0	0	0	113.1	L81 P105	L81-S83 PolarHBondContact O-N 3.07Å; S83-P105 WeakPolarHBondContact O-CD 3.31Å
84	S	85.5	Confident	88.6	Confident	35 Å²	35	39.4 Å²	39.4	25%	0.245	22%	0.219	C	C	.	.			trans	-155.6	160.3	-179.8	54	0	0	0	0	109.7
85	V	84.4	Confident	88.7	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	127.3	175.1	-177.9	0	0	0	0	107.5	V64 F87 L99 I104 L109	V64-V85 HydrophobicContact CG2-CG1 4.09Å; V85-F87 HydrophobicContact CG1-CE2 3.8Å; V85-F87 HydrophobicContact CG1-CZ 3.84Å; V85-L99 HydrophobicContact CG2-CD1 3.82Å; V85-L99 HydrophobicContact CG2-CD2 3.6Å; V85-L99 HydrophobicContact CG2-CG 4.36Å; V85-I104 HydrophobicContact CG2-CD1 3.78Å; V85-L109 HydrophobicContact CB-CD2 4.37Å; V85-L109 HydrophobicContact CG1-CD2 3.99Å
86	A	78.8	Confident	88.8	Confident	23 Å²	23	43.5 Å²	43.5	19%	0.19	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	131.8	177.9	0	0	0	0	0	109	Q66	Q66-A86 PolarHBondContact NE2-O 3.25Å
87	F	78	Confident	88.7	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.3	175.8	-61.3	-73.5	0	0	0	109.2	I68 L75 V85 H91 L97 L109 C110 I111 E112 A170 V171	I68-F87 HydrophobicContact CD1-CD1 4.44Å; I68-F87 HydrophobicContact CD1-CE1 4.35Å; L75-F87 HydrophobicContact CD2-CE1 3.93Å; L75-F87 HydrophobicContact CD2-CZ 4.48Å; V85-F87 HydrophobicContact CG1-CE2 3.8Å; V85-F87 HydrophobicContact CG1-CZ 3.84Å; F87-H91 AromaticContact CD1-CD2 3.54Å; F87-H91 AromaticContact CD1-NE2 3.81Å; F87-L97 HydrophobicContact CZ-CD2 4.1Å; F87-L109 HydrophobicContact CE2-CD2 4.15Å; F87-C110 PolarHBondContact N-O 2.88Å; F87-I111 CarbonylContact O-C 3.41Å; F87-I111 WeakPolarHBondContact O-CA 3.37Å; F87-E112 PolarHBondContact O-N 2.82Å; F87-A170 HydrophobicContact CD2-CB 4.48Å; F87-V171 HydrophobicContact CE2-CG1 4.13Å
88	H	75.5	Confident	88.8	Confident	74 Å²	74	45.5 Å²	45.5	34%	0.343	24%	0.24	S	C	.	.	S	Bend	trans	-87.8	-12.2	177.6	-73.6	62.4	0	0	0	112.7	Q66 E112	Q66-H88 WeakPolarHBondContact CG-ND1 3.35Å; Q66-H88 PolarHBondContact NE2-ND1 3.37Å; H88-E112 IonicContact CE1-OE2 3.9Å; H88-E112 PolarHBondContact CE1-OE2 3.4Å; H88-E112 IonicContact NE2-OE2 2.64Å
89	Q	74.6	Confident	88.8	Confident	76 Å²	76	44.8 Å²	44.8	36%	0.355	24%	0.235	S	C	.	.	S	Bend	trans	-149.6	161.9	179.6	65.2	-176.3	33.7	0	0	110.2	I68	I68-Q89 PolarHBondContact O-NE2 2.96Å
90	P	79.8	Confident	88.8	Confident	58 Å²	58	40.3 Å²	40.3	38%	0.377	22%	0.216	S	C	.	.			trans	-62.9	149.2	169.6	-22.3	32.4	0	0	0	114.4	I111 D169	P90-I111 HydrophobicContact CB-CD1 4.45Å; P90-I111 HydrophobicContact CG-CD1 3.76Å; P90-D169 WeakPolarHBondContact CB-O 3.38Å
91	H	84.8	Confident	88.8	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.			trans	-128.1	71.8	174.6	-67.6	-61.6	0	0	0	110.5	I68 D70 F87 N93 L94 A170	I68-H91 PolarHBondContact O-CE1 3.49Å; D70-H91 IonicContact OD1-CG 3.47Å; D70-H91 IonicContact OD1-ND1 3.67Å; D70-H91 PolarHBondContact OD1-ND1 3.04Å; F87-H91 AromaticContact CD1-CD2 3.54Å; F87-H91 AromaticContact CD1-NE2 3.81Å; H91-N93 PolarHBondContact O-N 3.29Å; H91-L94 HydrophobicContact CB-CB 3.96Å; H91-L94 WeakPolarHBondContact O-CB 3.37Å; H91-L94 PolarHBondContact O-N 3.4Å; H91-A170 CarbonylContact C-O 3.19Å; H91-A170 VanDerWaalsContact CA-O 3.27Å; H91-A170 WeakPolarHBondContact CA-O 3.15Å; H91-A170 PolarHBondContact N-O 2.66Å
92	P	85.3	Confident	88.9	Confident	76 Å²	76	38.3 Å²	38.3	49%	0.494	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-4.7	-171.4	30.8	-38.2	0	0	0	114.5	S173	P92-S173 VanDerWaalsContact C-OG 3.25Å; P92-S173 VanDerWaalsContact O-CB 3.26Å; P92-S173 WeakPolarHBondContact O-CB 3.31Å; P92-S173 PolarHBondContact O-OG 3.01Å
93	N	89.3	Confident	89.1	Confident	76 Å²	76	40 Å²	40	41%	0.406	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-6.5	176.9	-63.8	-66.4	0	0	0	112.6	I72 A73 H91 R95	I72-N93 CarbonylContact O-C 3.48Å; A73-N93 WeakPolarHBondContact CA-O 3.17Å; H91-N93 PolarHBondContact O-N 3.29Å; N93-R95 PolarHBondContact O-N 3.38Å
94	L	91.9	Very high	89.2	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.			trans	-69.9	118.4	-176.1	-174.1	63.7	0	0	0	109.9	I72 L75 H91 N96 L97 V171 S173 L174	I72-L94 HydrophobicContact CD1-CD1 4.12Å; I72-L94 PolarHBondContact O-N 3.43Å; L75-L94 HydrophobicContact CB-CD1 3.72Å; H91-L94 HydrophobicContact CB-CB 3.96Å; H91-L94 WeakPolarHBondContact O-CB 3.37Å; H91-L94 PolarHBondContact O-N 3.4Å; L94-N96 WeakPolarHBondContact CD1-O 3.39Å; L94-L97 HydrophobicContact CD2-CB 4.4Å; L94-V171 HydrophobicContact CD2-CG1 3.8Å; L94-S173 PolarHBondContact N-OG 3.27Å; L94-S173 CarbonylContact O-C 3.49Å; L94-S173 VanDerWaalsContact O-C 3.26Å; L94-S173 PolarHBondContact O-OG 3.01Å; L94-L174 HydrophobicContact CD2-CD1 4.39Å; L94-L174 HydrophobicContact CG-CD1 4.1Å; L94-L174 WeakPolarHBondContact O-CA 3.25Å; L94-L174 PolarHBondContact O-N 2.97Å
95	R	94.9	Very high	89.4	Confident	127 Å²	127	37.2 Å²	37.2	48%	0.479	20%	0.197	S	C	.	.			trans	-107	-39.8	-179	-65.4	177.9	-171.8	-157	-0.4	111.2	A73 N93 L174 Q175 V176	A73-R95 PolarHBondContact O-N 2.65Å; N93-R95 PolarHBondContact O-N 3.38Å; R95-L174 WeakPolarHBondContact O-CD1 3.45Å; R95-Q175 HydrophobicContact CB-CB 4.21Å; R95-Q175 HydrophobicContact CB-CG 4.42Å; R95-Q175 WeakPolarHBondContact O-CA 3.39Å; R95-Q175 WeakPolarHBondContact O-CB 3.41Å; R95-Q175 PolarHBondContact O-N 2.55Å; R95-V176 PolarHBondContact O-N 3Å
96	N	96.4	Very high	89.4	Confident	33 Å²	33	40.8 Å²	40.8	18%	0.176	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	124.4	-176.1	-60.2	10	0	0	0	110.1	A73 E74 L75 L94 W98 V176	A73-N96 PolarHBondContact O-N 3.44Å; E74-N96 HydrophobicContact CG-CB 4.18Å; L75-N96 PolarHBondContact N-O 3.32Å; L94-N96 WeakPolarHBondContact CD1-O 3.39Å; N96-W98 HydrophobicContact CB-CE3 4.4Å; N96-W98 HydrophobicContact CB-CH2 3.52Å; N96-W98 HydrophobicContact CB-CZ2 3.67Å; N96-W98 HydrophobicContact CB-CZ3 3.91Å; N96-V176 HydrophobicContact CB-CB 4.36Å
97	L	95.9	Very high	89.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	111	177	178.2	56.4	0	0	0	109.4	L75 L77 F87 L94 L99 L109 L174 V176 L177 E178	L75-L97 HydrophobicContact CB-CD1 4.1Å; L75-L97 HydrophobicContact CD2-CD1 3.92Å; L75-L97 HydrophobicContact CG-CD1 3.94Å; L75-L97 WeakPolarHBondContact O-CA 3.43Å; L77-L97 HydrophobicContact CD1-CD1 4.36Å; F87-L97 HydrophobicContact CZ-CD2 4.1Å; L94-L97 HydrophobicContact CD2-CB 4.4Å; L97-L99 HydrophobicContact CD1-CD1 4.33Å; L97-L99 HydrophobicContact CD1-CD2 4.35Å; L97-L99 HydrophobicContact CD1-CG 4.07Å; L97-L99 HydrophobicContact CD2-CD1 3.8Å; L97-L99 HydrophobicContact CD2-CG 4.43Å; L97-L99 HydrophobicContact CG-CD1 3.81Å; L97-L99 HydrophobicContact CG-CG 3.94Å; L97-L109 HydrophobicContact CD2-CD2 4Å; L97-L174 HydrophobicContact CB-CD1 3.67Å; L97-L174 HydrophobicContact CB-CD2 4.39Å; L97-V176 PolarHBondContact N-O 2.95Å; L97-L177 HydrophobicContact CB-CD1 4.31Å; L97-L177 HydrophobicContact CD2-CD1 4.14Å; L97-L177 HydrophobicContact CG-CD1 4.23Å; L97-E178 PolarHBondContact O-N 2.94Å
98	W	98.1	Very high	89.5	Confident	64 Å²	64	42.3 Å²	42.3	24%	0.242	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116.8	175.7	-56.2	-87.1	0	0	0	110.8	L53 E74 L75 D76 L77 S78 N96 E178	L53-W98 HydrophobicContact CD1-CZ3 4.35Å; E74-W98 HydrophobicContact CB-CH2 4.03Å; E74-W98 HydrophobicContact CB-CZ3 3.81Å; E74-W98 HydrophobicContact CG-CH2 4.06Å; E74-W98 HydrophobicContact CG-CZ3 4.35Å; L75-W98 PolarHBondContact O-N 3.1Å; D76-W98 HydrophobicContact CB-CB 4.49Å; D76-W98 HydrophobicContact CB-CD2 4.5Å; D76-W98 HydrophobicContact CB-CE3 3.71Å; D76-W98 HydrophobicContact CB-CZ3 4.32Å; L77-W98 CarbonylContact C-O 3.58Å; L77-W98 WeakPolarHBondContact CA-O 3.35Å; L77-W98 PolarHBondContact N-O 3.42Å; S78-W98 PolarHBondContact N-O 3.02Å; N96-W98 HydrophobicContact CB-CE3 4.4Å; N96-W98 HydrophobicContact CB-CH2 3.52Å; N96-W98 HydrophobicContact CB-CZ2 3.67Å; N96-W98 HydrophobicContact CB-CZ3 3.91Å; W98-E178 HydrophobicContact CB-CB 4.42Å; W98-E178 HydrophobicContact CG-CB 4.31Å
99	L	97.3	Very high	89.2	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.			trans	-123.8	12.4	-179.7	-69.3	165.1	0	0	0	111.5	L77 L82 V85 L97 N102 I104 L177 E178 L179 N182	L77-L99 HydrophobicContact CB-CD2 3.94Å; L77-L99 HydrophobicContact CD1-CD2 4Å; L82-L99 HydrophobicContact CD1-CD2 4.04Å; V85-L99 HydrophobicContact CG2-CD1 3.82Å; V85-L99 HydrophobicContact CG2-CD2 3.6Å; V85-L99 HydrophobicContact CG2-CG 4.36Å; L97-L99 HydrophobicContact CD1-CD1 4.33Å; L97-L99 HydrophobicContact CD1-CD2 4.35Å; L97-L99 HydrophobicContact CD1-CG 4.07Å; L97-L99 HydrophobicContact CD2-CD1 3.8Å; L97-L99 HydrophobicContact CD2-CG 4.43Å; L97-L99 HydrophobicContact CG-CD1 3.81Å; L97-L99 HydrophobicContact CG-CG 3.94Å; L99-N102 PolarHBondContact O-ND2 3.09Å; L99-I104 HydrophobicContact CB-CD1 4.25Å; L99-I104 HydrophobicContact CD2-CD1 4.38Å; L99-L177 HydrophobicContact CD1-CD1 4.2Å; L99-E178 CarbonylContact C-O 3.36Å; L99-E178 WeakPolarHBondContact CA-O 3.46Å; L99-E178 WeakPolarHBondContact CB-O 3.5Å; L99-E178 PolarHBondContact N-O 3.24Å; L99-L179 HydrophobicContact CB-CD2 3.83Å; L99-L179 HydrophobicContact CD1-CD2 3.75Å; L99-L179 HydrophobicContact CG-CD2 4.47Å; L99-N182 PolarHBondContact O-ND2 3.32Å
100	G	97.8	Very high	88.7	Confident	7 Å²	7	36.2 Å²	36.2	7%	0.072	20%	0.195	C	C	.	.			trans	-59.6	148.9	-178.4	0	0	0	0	0	113	S78 H79 N102 E178 S180	S78-G100 CarbonylContact C-O 3.27Å; S78-G100 WeakPolarHBondContact CA-O 2.98Å; S78-G100 WeakPolarHBondContact CB-O 3.33Å; H79-G100 PolarHBondContact N-O 3.24Å; G100-N102 PolarHBondContact O-ND2 2.88Å; G100-E178 PolarHBondContact N-O 3.33Å; G100-S180 CarbonylContact C-O 3.13Å; G100-S180 WeakPolarHBondContact CA-O 3.43Å
101	N	98.4	Very high	87.8	Confident	72 Å²	72	35.4 Å²	35.4	39%	0.385	19%	0.187	S	C	.	.	S	Bend	trans	56.7	56.4	177.9	-159.8	61.1	0	0	0	113.1	H79 N80 S180 F181	H79-N101 VanDerWaalsContact CA-O 3.25Å; H79-N101 WeakPolarHBondContact CA-O 3.09Å; H79-N101 PolarHBondContact N-O 3.48Å; H79-N101 PolarHBondContact ND1-ND2 2.57Å; N80-N101 PolarHBondContact N-O 3.06Å; N101-S180 PolarHBondContact N-O 3.42Å; N101-F181 VanDerWaalsContact CA-O 3.25Å; N101-F181 WeakPolarHBondContact CA-O 3.49Å; N101-F181 HydrophobicContact CB-CB 4.19Å; N101-F181 PolarHBondContact N-O 3.26Å
102	N	97.5	Very high	86.4	Confident	10 Å²	10	38.5 Å²	38.5	5%	0.053	20%	0.201	C	C	.	.	S	Bend	trans	-123.3	-163.2	173.9	-86.1	-76.9	0	0	0	109.9	L77 N80 L81 L82 L99 G100 I104 F181 N182	L77-N102 PolarHBondContact O-ND2 3.35Å; N80-N102 WeakPolarHBondContact CA-OD1 3.31Å; N80-N102 WeakPolarHBondContact CB-OD1 3.26Å; N80-N102 PolarHBondContact N-OD1 2.95Å; N80-N102 PolarHBondContact O-OD1 3.44Å; L81-N102 PolarHBondContact N-OD1 3.05Å; L82-N102 HydrophobicContact CB-CB 4.24Å; L82-N102 VanDerWaalsContact CB-OD1 3.25Å; L82-N102 WeakPolarHBondContact CB-OD1 3.25Å; L82-N102 VanDerWaalsContact CG-OD1 3.27Å; L82-N102 WeakPolarHBondContact CG-OD1 3.1Å; L82-N102 PolarHBondContact N-OD1 3.19Å; L99-N102 PolarHBondContact O-ND2 3.09Å; G100-N102 PolarHBondContact O-ND2 2.88Å; N102-I104 HydrophobicContact CB-CD1 4.24Å; N102-I104 HydrophobicContact CB-CG1 4.18Å; N102-F181 PolarHBondContact N-O 3.23Å; N102-N182 WeakPolarHBondContact CA-OD1 3.15Å; N102-N182 WeakPolarHBondContact CB-OD1 3.48Å
103	S	96.1	Very high	84.5	Confident	35 Å²	35	38.7 Å²	38.7	25%	0.245	20%	0.201	C	C	.	.			trans	-123	34.2	177.8	-70.1	0	0	0	0	112.6	L82 P105 N182	L82-S103 CarbonylContact O-C 3.52Å; L82-S103 WeakPolarHBondContact O-CA 3.48Å; L82-S103 PolarHBondContact O-N 2.82Å; S103-P105 VanDerWaalsContact O-CD 3.3Å; S103-P105 WeakPolarHBondContact O-CD 3Å; S103-N182 PolarHBondContact N-OD1 3.13Å
104	I	93.9	Very high	82.2	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.212	C	C	.	.			trans	-75	117.9	-175.9	-58.9	167.2	0	0	0	109.5	L82 V85 L99 N102 H106 N182 R183 I184	L82-I104 HydrophobicContact CB-CG1 4.45Å; L82-I104 WeakPolarHBondContact O-CG1 2.99Å; L82-I104 PolarHBondContact O-N 3.42Å; V85-I104 HydrophobicContact CG2-CD1 3.78Å; L99-I104 HydrophobicContact CB-CD1 4.25Å; L99-I104 HydrophobicContact CD2-CD1 4.38Å; N102-I104 HydrophobicContact CB-CD1 4.24Å; N102-I104 HydrophobicContact CB-CG1 4.18Å; I104-H106 WeakPolarHBondContact CG2-O 3.08Å; I104-N182 HydrophobicContact CB-CB 4.44Å; I104-N182 WeakPolarHBondContact CB-OD1 3.41Å; I104-N182 WeakPolarHBondContact CG1-OD1 3.32Å; I104-N182 PolarHBondContact N-OD1 3.04Å; I104-R183 CarbonylContact O-C 3.15Å; I104-R183 VanDerWaalsContact O-C 3.28Å; I104-R183 WeakPolarHBondContact O-CA 3.28Å; I104-R183 PolarHBondContact O-N 3.46Å; I104-I184 HydrophobicContact CG2-CG1 4.5Å; I104-I184 WeakPolarHBondContact O-CG1 3.31Å; I104-I184 PolarHBondContact O-N 3.32Å
105	P	88.2	Confident	79.7	Confident	45 Å²	45	45.3 Å²	45.3	29%	0.292	24%	0.244	S	C	.	.	S	Bend	trans	-88.5	-25.5	177.8	34	-30.7	0	0	0	113	S83 S103 R183 I184	S83-P105 WeakPolarHBondContact O-CD 3.31Å; S103-P105 VanDerWaalsContact O-CD 3.3Å; S103-P105 WeakPolarHBondContact O-CD 3Å; P105-R183 WeakPolarHBondContact CA-O 3.42Å; P105-I184 WeakPolarHBondContact O-CA 3.19Å
106	H	84.5	Confident	77	Confident	80 Å²	80	43 Å²	43	37%	0.37	24%	0.244	S	C	.	.	S	Bend	trans	-142.4	131.6	-179.4	-56.5	-58.6	0	0	0	108.9	I104	I104-H106 WeakPolarHBondContact CG2-O 3.08Å
107	L	82.4	Confident	74.2	Confident	15 Å²	15	43.8 Å²	43.8	8%	0.079	26%	0.256	C	S	.	.			trans	-72.4	129.5	173.5	-177.6	62.8	0	0	0	109.7	L109 L177 L179 L187 V191 L192	L107-L109 HydrophobicContact CD1-CD1 4.43Å; L107-L109 HydrophobicContact CD1-CD2 4.07Å; L107-L109 HydrophobicContact CD1-CG 4.01Å; L107-L109 HydrophobicContact CG-CG 4.45Å; L107-L177 HydrophobicContact CD2-CD2 4.25Å; L107-L179 HydrophobicContact CD1-CD1 3.92Å; L107-L179 HydrophobicContact CD1-CD2 3.98Å; L107-L179 HydrophobicContact CD2-CD1 3.81Å; L107-L179 HydrophobicContact CG-CD1 4.39Å; L107-L187 HydrophobicContact CB-CD2 4.02Å; L107-L187 HydrophobicContact CD2-CD2 4.26Å; L107-V191 HydrophobicContact CB-CG2 4.47Å; L107-V191 HydrophobicContact CD2-CG1 4.5Å; L107-V191 HydrophobicContact CG-CG2 4.36Å; L107-V191 WeakPolarHBondContact O-CG2 3.24Å; L107-L192 HydrophobicContact CD2-CD2 3.62Å
108	S	76.1	Confident	71.2	Confident	39 Å²	39	54.6 Å²	54.6	27%	0.273	30%	0.297	S	S	.	.			trans	-145.9	125.9	168.1	-177.6	0	0	0	0	106.9	C110	S108-C110 PolarHBondContact OG-SG 2.89Å
109	L	70.9	Confident	68.1	Low	4 Å²	4	61.4 Å²	61.4	2%	0.021	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	41.6	178.2	-62.1	172.8	0	0	0	109.6	V85 F87 L97 L107 L168 V171 L177 L195	V85-L109 HydrophobicContact CB-CD2 4.37Å; V85-L109 HydrophobicContact CG1-CD2 3.99Å; F87-L109 HydrophobicContact CE2-CD2 4.15Å; L97-L109 HydrophobicContact CD2-CD2 4Å; L107-L109 HydrophobicContact CD1-CD1 4.43Å; L107-L109 HydrophobicContact CD1-CD2 4.07Å; L107-L109 HydrophobicContact CD1-CG 4.01Å; L107-L109 HydrophobicContact CG-CG 4.45Å; L109-L168 HydrophobicContact CB-CD2 3.9Å; L109-V171 HydrophobicContact CB-CG2 4.38Å; L109-V171 HydrophobicContact CD1-CG2 4.16Å; L109-L177 HydrophobicContact CD1-CD2 4.44Å; L109-L195 HydrophobicContact CD1-CD1 4.37Å
110	C	63.6	Low	65.3	Low	18 Å²	18	67.1 Å²	67.1	12%	0.122	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	157.5	-176.4	-72.2	0	0	0	0	113.3	F87 S108 C157 M166	F87-C110 PolarHBondContact N-O 2.88Å; S108-C110 PolarHBondContact OG-SG 2.89Å; C110-C157 WeakPolarHBondContact CB-SG 3.29Å; C110-C157 WeakPolarHBondContact SG-CB 3.11Å; C110-C157 CovalentContact SG-SG 2.05Å; C110-C157 PolarHBondContact SG-SG 2.96Å; C110-M166 VanDerWaalsContact SG-CE 3.52Å
111	I	60.2	Low	62.5	Low	41 Å²	41	73.9 Å²	73.9	21%	0.21	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119	164	-53.5	174.6	0	0	0	110.3	F87 P90 T113 D169 A170	F87-I111 CarbonylContact O-C 3.41Å; F87-I111 WeakPolarHBondContact O-CA 3.37Å; P90-I111 HydrophobicContact CB-CD1 4.45Å; P90-I111 HydrophobicContact CG-CD1 3.76Å; I111-T113 HydrophobicContact CG2-CG2 4.2Å; I111-T113 PolarHBondContact O-N 3.17Å; I111-D169 HydrophobicContact CD1-CB 4.36Å; I111-A170 HydrophobicContact CD1-CB 3.83Å; I111-A170 HydrophobicContact CG1-CB 3.55Å
112	E	56.4	Low	59.4	Low	65 Å²	65	76.6 Å²	76.6	30%	0.304	41%	0.405	S	S	.	.			trans	-80.5	95.4	172.5	-169.8	166.5	-159.9	0	0	109.8	F87 H88 T114	F87-E112 PolarHBondContact O-N 2.82Å; H88-E112 IonicContact CE1-OE2 3.9Å; H88-E112 PolarHBondContact CE1-OE2 3.4Å; H88-E112 IonicContact NE2-OE2 2.64Å; E112-T114 PolarHBondContact O-N 3.49Å
113	T	45.5	Very low	56.3	Low	80 Å²	80	78.7 Å²	78.7	49%	0.491	43%	0.429	S	S	.	.			trans	-80.7	103.1	174.5	56.6	0	0	0	0	110.2	I111 V115	I111-T113 HydrophobicContact CG2-CG2 4.2Å; I111-T113 PolarHBondContact O-N 3.17Å; T113-V115 PolarHBondContact O-N 3.01Å
114	T	40.3	Very low	53.3	Low	102 Å²	102	86.1 Å²	86.1	63%	0.626	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	5.5	-174	41.7	0	0	0	0	115.8	E112	E112-T114 PolarHBondContact O-N 3.49Å
115	V	38.4	Very low	50.6	Low	113 Å²	113	95.5 Å²	95.5	69%	0.685	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-9.5	-167.7	-176.7	0	0	0	0	116	T113	T113-V115 PolarHBondContact O-N 3.01Å
116	T	39.5	Very low	48.1	Very low	78 Å²	78	99.7 Å²	99.7	48%	0.479	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-23.1	-177.5	40.2	0	0	0	0	115.8	R118 R119 L120	T116-R118 VanDerWaalsContact C-N 3.34Å; T116-R118 PolarHBondContact O-N 3.1Å; T116-R119 PolarHBondContact O-N 2.87Å; T116-R119 VanDerWaalsContact O-N 3.14Å; T116-L120 WeakPolarHBondContact O-CG 3.26Å; T116-L120 PolarHBondContact O-N 2.97Å
117	A	38	Very low	45.5	Very low	51 Å²	51	103.2 Å²	103.2	42%	0.421	55%	0.547	S	S	.	.	H	α-helix	trans	-66.1	-32.3	179.5	0	0	0	0	0	113.4	L121	A117-L121 PolarHBondContact O-N 2.86Å
118	R	32.4	Very low	43.1	Very low	227 Å²	227	109.8 Å²	109.8	86%	0.857	58%	0.582	S	S	*	*	H	α-helix	trans	-73.1	-24.9	173.8	-80.5	-169.4	-179.6	-147	2	113.9	T116	T116-R118 VanDerWaalsContact C-N 3.34Å; T116-R118 PolarHBondContact O-N 3.1Å
119	R	33.3	Very low	40.9	Very low	207 Å²	207	118.9 Å²	118.9	78%	0.781	61%	0.61	S	S	*	*	H	α-helix	trans	-83.6	-34.4	175.1	-94.9	-178.6	174.4	165.6	-1.2	112.5	T116 L121 G123	T116-R119 PolarHBondContact O-N 2.87Å; T116-R119 VanDerWaalsContact O-N 3.14Å; R119-L121 VanDerWaalsContact C-N 3.34Å; R119-L121 PolarHBondContact O-N 2.78Å; R119-G123 PolarHBondContact O-N 2.69Å
120	L	38.2	Very low	39.1	Very low	120 Å²	120	126.5 Å²	126.5	63%	0.628	65%	0.65	S	S	*	*	H	α-helix	trans	-70.9	-27.4	179.1	-74.7	163.2	0	0	0	113.2	T116	T116-L120 WeakPolarHBondContact O-CG 3.26Å; T116-L120 PolarHBondContact O-N 2.97Å
121	L	38.7	Very low	37.7	Very low	148 Å²	148	134.8 Å²	134.8	78%	0.775	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-12.1	180	-71.6	167.6	0	0	0	114.8	A117 R119	A117-L121 PolarHBondContact O-N 2.86Å; R119-L121 VanDerWaalsContact C-N 3.34Å; R119-L121 PolarHBondContact O-N 2.78Å
122	V	34.3	Very low	35.9	Very low	130 Å²	130	141 Å²	141	79%	0.788	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.9	-0.7	-173.9	-176.2	0	0	0	0	113
123	G	31	Very low	34.5	Very low	54 Å²	54	149 Å²	149	56%	0.557	74%	0.741	S	S	*	*	S	Bend	trans	-116.6	9.6	-163.7	0	0	0	0	0	119.2	R119	R119-G123 PolarHBondContact O-N 2.69Å
124	Q	33.8	Very low	33.5	Very low	190 Å²	190	151.5 Å²	151.5	89%	0.888	75%	0.751	S	S	*	*			trans	-130.7	70.2	176.1	-78.1	-170.7	-6.6	0	0	112.5
125	K	38	Very low	33.1	Very low	198 Å²	198	153.9 Å²	153.9	86%	0.861	76%	0.76	S	S	*	*	S	Bend	trans	-99.5	125.7	138.2	-114.1	178.6	178.1	177.2	0	105.9
126	T	34.6	Very low	32.4	Very low	134 Å²	134	157 Å²	157	82%	0.822	77%	0.767	S	S	*	*	S	Bend	trans	72.4	87.1	173.8	72.6	0	0	0	0	116.8
127	D	29.4	Very low	32.3	Very low	154 Å²	154	158.6 Å²	158.6	82%	0.824	78%	0.779	S	S	*	*				-155.5	113.9	108.8	-138.1	-17.8	0	0	0	111.6	R129	D127-R129 PolarHBondContact O-N 2.79Å
128	N	32	Very low	31.6	Very low	153 Å²	153	161.4 Å²	161.4	82%	0.818	80%	0.795	S	S	*	*			trans	-82.7	88.9	175.9	-83.5	-24.9	0	0	0	108
129	R	30.8	Very low	31.5	Very low	229 Å²	229	158.9 Å²	158.9	86%	0.864	79%	0.793	S	S	*	*			trans	169.2	93	155.9	-92.5	148.9	-162.1	-137.5	8.9	107.2	D127	D127-R129 PolarHBondContact O-N 2.79Å
130	L	33.6	Very low	31.5	Very low	164 Å²	164	155 Å²	155	86%	0.859	79%	0.788	S	S	*	*	S	Bend	trans	162.6	94.5	147.2	-87.7	159.4	0	0	0	106.8
131	F	32.5	Very low	31.1	Very low	192 Å²	192	156.8 Å²	156.8	84%	0.842	80%	0.798	S	S	*	*			trans	170.1	83.4	136.8	-92	-68.1	0	0	0	105.5	W133	F131-W133 PolarHBondContact O-N 3.48Å; F131-W133 VanDerWaalsContact O-N 3.14Å
132	Q	23.7	Very low	31	Very low	171 Å²	171	158.8 Å²	158.8	80%	0.799	80%	0.796	S	S	*	*			trans	-68.1	106.1	174.1	-167.5	169.1	1.8	0	0	107.2	N134	Q132-N134 PolarHBondContact O-N 3.12Å; Q132-N134 VanDerWaalsContact O-N 3.1Å
133	W	27.5	Very low	31.1	Very low	235 Å²	235	158.4 Å²	158.4	89%	0.89	79%	0.79	S	S	*	*			trans	-65.3	102.3	167.4	-81.8	38.6	0	0	0	107.6	F131	F131-W133 PolarHBondContact O-N 3.48Å; F131-W133 VanDerWaalsContact O-N 3.14Å
134	N	24.2	Very low	31.5	Very low	132 Å²	132	162.5 Å²	162.5	71%	0.706	80%	0.798	S	S	*	*			trans	-90.1	123.7	166	-74.7	-16.6	0	0	0	108	Q132	Q132-N134 PolarHBondContact O-N 3.12Å; Q132-N134 VanDerWaalsContact O-N 3.1Å
135	N	30.7	Very low	31.6	Very low	152 Å²	152	160.3 Å²	160.3	81%	0.813	79%	0.787	S	S	*	*			trans	-59.1	133.5	-172	-61.9	-52.8	0	0	0	113.6
136	E	24.5	Very low	31.5	Very low	177 Å²	177	155.2 Å²	155.2	83%	0.827	77%	0.768	S	S	*	*			trans	-156.8	119.5	144.7	-105.5	-81.5	145.3	0	0	107.2
137	P	36.3	Very low	31.8	Very low	113 Å²	113	152.5 Å²	152.5	73%	0.734	75%	0.748	S	S	*	*			trans	-100.6	129.8	-175.8	34.3	-25.9	0	0	0	111.6
138	S	24.7	Very low	32.2	Very low	110 Å²	110	149.7 Å²	149.7	77%	0.769	74%	0.74	S	S	*	*			trans	-168.7	126.5	144.6	46	0	0	0	0	115.4
139	H	29.2	Very low	32.6	Very low	174 Å²	174	152.1 Å²	152.1	81%	0.806	74%	0.738	S	S	*	*	S	Bend	trans	81.1	104.8	151.4	-85.4	-68	0	0	0	123.1
140	N	33.7	Very low	33.2	Very low	126 Å²	126	143 Å²	143	67%	0.674	71%	0.706	S	S	*	*			trans	88.9	94.7	152.2	-72.2	11.7	0	0	0	117.6	Y142	N140-Y142 WeakPolarHBondContact O-CD2 3.36Å; N140-Y142 PolarHBondContact O-N 3.09Å; N140-Y142 VanDerWaalsContact O-N 3.14Å
141	D	30.8	Very low	33.5	Very low	157 Å²	157	144 Å²	144	84%	0.84	70%	0.704	S	S	*	*			trans	-38.1	106.5	161.1	-85.8	-44.9	0	0	0	112.7	N143	D141-N143 PolarHBondContact O-N 3.32Å
142	Y	36	Very low	34	Very low	189 Å²	189	138 Å²	138	74%	0.741	70%	0.695	S	S	*	*			trans	-82.3	106.4	157.2	-71.6	-81.8	0	0	0	107.8	N140 I144	N140-Y142 WeakPolarHBondContact O-CD2 3.36Å; N140-Y142 PolarHBondContact O-N 3.09Å; N140-Y142 VanDerWaalsContact O-N 3.14Å; Y142-I144 PolarHBondContact O-N 3.49Å; Y142-I144 VanDerWaalsContact O-N 3.1Å
143	N	35.1	Very low	34.9	Very low	123 Å²	123	134.5 Å²	134.5	66%	0.658	68%	0.679	S	S	*	*			trans	-36.8	111.1	178	-76.1	-37.5	0	0	0	113	D141 E145 M146	D141-N143 PolarHBondContact O-N 3.32Å; N143-E145 PolarHBondContact O-N 3.28Å; N143-M146 VanDerWaalsContact O-CB 3.26Å; N143-M146 WeakPolarHBondContact O-CB 3.36Å; N143-M146 PolarHBondContact O-N 3.38Å
144	I	40.2	Very low	35.6	Very low	140 Å²	140	128.7 Å²	128.7	72%	0.718	66%	0.661	S	S	*	*	H	α-helix	trans	-57.6	-22.1	175.7	-65.7	174.8	0	0	0	111.6	Y142 M146 L147	Y142-I144 PolarHBondContact O-N 3.49Å; Y142-I144 VanDerWaalsContact O-N 3.1Å; I144-M146 VanDerWaalsContact C-N 3.29Å; I144-M146 PolarHBondContact O-N 3.04Å; I144-L147 PolarHBondContact O-N 3.23Å
145	E	36.1	Very low	36.5	Very low	143 Å²	143	126.3 Å²	126.3	67%	0.668	65%	0.645	S	S	*	*	H	α-helix	trans	-66.9	-27.2	174.2	-155.6	175.7	174.7	0	0	113.2	N143 L147 S148	N143-E145 PolarHBondContact O-N 3.28Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-S148 PolarHBondContact O-N 2.87Å; E145-S148 PolarHBondContact O-OG 2.98Å
146	M	36.1	Very low	37.1	Very low	92 Å²	92	121.2 Å²	121.2	45%	0.453	62%	0.624	S	S	.	*	H	α-helix	trans	-68.8	-33.2	177.1	-164.3	177	102.3	0	0	112	N143 I144 S148 R149 I150 Y158	N143-M146 VanDerWaalsContact O-CB 3.26Å; N143-M146 WeakPolarHBondContact O-CB 3.36Å; N143-M146 PolarHBondContact O-N 3.38Å; I144-M146 VanDerWaalsContact C-N 3.29Å; I144-M146 PolarHBondContact O-N 3.04Å; M146-S148 PolarHBondContact O-N 3.38Å; M146-R149 PolarHBondContact O-N 3.37Å; M146-I150 HydrophobicContact CE-CD1 4.33Å; M146-Y158 HydrophobicContact CE-CE2 4.46Å
147	L	40.1	Very low	38.2	Very low	76 Å²	76	114.2 Å²	114.2	40%	0.398	59%	0.594	S	S	.	*	H	α-helix	trans	-67.1	-21	-179.8	-63.8	170	0	0	0	112.6	I144 E145 R149 F155	I144-L147 PolarHBondContact O-N 3.23Å; E145-L147 VanDerWaalsContact C-N 3.34Å; L147-R149 VanDerWaalsContact C-N 3.35Å; L147-F155 HydrophobicContact CD2-CE2 4.12Å
148	S	37.8	Very low	38.4	Very low	96 Å²	96	111.8 Å²	111.8	67%	0.671	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-18.6	177.1	76.6	0	0	0	0	114.1	E145 M146	E145-S148 PolarHBondContact O-N 2.87Å; E145-S148 PolarHBondContact O-OG 2.98Å; M146-S148 PolarHBondContact O-N 3.38Å
149	R	41.1	Very low	39.3	Very low	203 Å²	203	111.2 Å²	111.2	77%	0.766	56%	0.555	S	S	*	*	S	Bend	trans	-97.2	-9.3	-174	-64.1	-171	178.6	-142.5	1.5	114	M146 L147 K151	M146-R149 PolarHBondContact O-N 3.37Å; L147-R149 VanDerWaalsContact C-N 3.35Å; R149-K151 PolarHBondContact O-N 3.39Å
150	I	42.6	Very low	40.2	Very low	39 Å²	39	106 Å²	106	20%	0.2	53%	0.533	C	S	.	.			trans	-88.8	103	-172.1	-62.8	-179.9	0	0	0	109.5	M146 G152 H154 F155	M146-I150 HydrophobicContact CE-CD1 4.33Å; I150-G152 PolarHBondContact O-N 3.46Å; I150-H154 HydrophobicContact CG2-CB 3.13Å; I150-F155 HydrophobicContact CG2-CB 4.25Å
151	K	40.9	Very low	40.7	Very low	185 Å²	185	104.8 Å²	104.8	80%	0.804	52%	0.521	S	S	*	.			trans	-64.8	125.5	175.2	-68.5	-177.6	179.5	178.8	0	110.8	R149 Q153 H154	R149-K151 PolarHBondContact O-N 3.39Å; K151-Q153 VanDerWaalsContact C-N 3.3Å; K151-Q153 PolarHBondContact O-N 3.46Å; K151-H154 PolarHBondContact O-N 3.31Å; K151-H154 VanDerWaalsContact O-N 3.14Å
152	G	43.7	Very low	41.4	Very low	64 Å²	64	103.7 Å²	103.7	66%	0.66	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	28.6	-63	160.6	0	0	0	0	0	120.3	I150	I150-G152 PolarHBondContact O-N 3.46Å
153	Q	42.6	Very low	41.8	Very low	99 Å²	99	98.3 Å²	98.3	46%	0.463	50%	0.501	S	S	.	.	H	α-helix	trans	-76.8	-36.1	-174.1	-125.7	164.8	20.2	0	0	113.1	K151	K151-Q153 VanDerWaalsContact C-N 3.3Å; K151-Q153 PolarHBondContact O-N 3.46Å
154	H	41.4	Very low	42.2	Very low	113 Å²	113	101.8 Å²	101.8	52%	0.523	51%	0.514	S	S	.	.	H	α-helix	trans	-72	-31.8	174.8	-82.9	115.2	0	0	0	111.7	I150 K151 A156 Y158	I150-H154 HydrophobicContact CG2-CB 3.13Å; K151-H154 PolarHBondContact O-N 3.31Å; K151-H154 VanDerWaalsContact O-N 3.14Å; H154-A156 VanDerWaalsContact C-N 3.34Å; H154-A156 PolarHBondContact O-N 3.48Å; H154-Y158 VanDerWaalsContact O-CB 3.23Å; H154-Y158 WeakPolarHBondContact O-CB 3.29Å; H154-Y158 PolarHBondContact O-N 3.4Å
155	F	42.3	Very low	42.3	Very low	81 Å²	81	103.6 Å²	103.6	36%	0.355	52%	0.516	S	S	.	.	H	α-helix	trans	-68.3	-34	-179.9	-158.7	-87.9	0	0	0	111.5	L147 I150 Y158 F159	L147-F155 HydrophobicContact CD2-CE2 4.12Å; I150-F155 HydrophobicContact CG2-CB 4.25Å; F155-Y158 PolarHBondContact O-N 2.85Å; F155-F159 HydrophobicContact CD1-CB 4.16Å; F155-F159 HydrophobicContact CE1-CB 4.19Å; F155-F159 AromaticContact CE1-CD2 3.88Å; F155-F159 HydrophobicContact CE1-CD2 3.88Å; F155-F159 HydrophobicContact CE1-CG 4.34Å; F155-F159 WeakPolarHBondContact O-CB 3.35Å; F155-F159 PolarHBondContact O-N 3.28Å
156	A	44.8	Very low	42.8	Very low	46 Å²	46	101 Å²	101	38%	0.38	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-46.7	177.1	0	0	0	0	0	112.5	H154 L160	H154-A156 VanDerWaalsContact C-N 3.34Å; H154-A156 PolarHBondContact O-N 3.48Å; A156-L160 VanDerWaalsContact O-CG 3.23Å; A156-L160 WeakPolarHBondContact O-CG 3.43Å; A156-L160 PolarHBondContact O-N 3.23Å; A156-L160 VanDerWaalsContact O-N 3.15Å
157	C	46.4	Very low	43.2	Very low	29 Å²	29	104.5 Å²	104.5	20%	0.196	51%	0.514	C	S	.	.	H	α-helix	trans	-67	-40.9	173.1	-76.5	0	0	0	0	111.8	C110 F159 L160 K161 M166	C110-C157 WeakPolarHBondContact CB-SG 3.29Å; C110-C157 WeakPolarHBondContact SG-CB 3.11Å; C110-C157 CovalentContact SG-SG 2.05Å; C110-C157 PolarHBondContact SG-SG 2.96Å; C157-F159 VanDerWaalsContact C-N 3.35Å; C157-F159 PolarHBondContact O-N 2.82Å; C157-L160 PolarHBondContact O-N 2.89Å; C157-K161 PolarHBondContact O-N 2.57Å; C157-M166 HydrophobicContact CB-CE 3.96Å; C157-M166 WeakPolarHBondContact O-CE 3.39Å
158	Y	41.3	Very low	43.8	Very low	62 Å²	62	101.9 Å²	101.9	24%	0.243	50%	0.5	C	S	.	.	H	α-helix	trans	-69.8	-31.9	-178.3	-148.7	-89.2	0	0	0	112.5	M146 H154 F155 K161	M146-Y158 HydrophobicContact CE-CE2 4.46Å; H154-Y158 VanDerWaalsContact O-CB 3.23Å; H154-Y158 WeakPolarHBondContact O-CB 3.29Å; H154-Y158 PolarHBondContact O-N 3.4Å; F155-Y158 PolarHBondContact O-N 2.85Å; Y158-K161 VanDerWaalsContact O-CB 3.26Å; Y158-K161 WeakPolarHBondContact O-CB 3.38Å; Y158-K161 PolarHBondContact O-N 2.92Å
159	F	44	Very low	44.5	Very low	98 Å²	98	101 Å²	101	43%	0.43	49%	0.488	S	S	.	.	H	α-helix	trans	-73.9	-36.7	175.3	-172.3	-95.6	0	0	0	111.5	F155 C157 K161 L162	F155-F159 HydrophobicContact CD1-CB 4.16Å; F155-F159 HydrophobicContact CE1-CB 4.19Å; F155-F159 AromaticContact CE1-CD2 3.88Å; F155-F159 HydrophobicContact CE1-CD2 3.88Å; F155-F159 HydrophobicContact CE1-CG 4.34Å; F155-F159 WeakPolarHBondContact O-CB 3.35Å; F155-F159 PolarHBondContact O-N 3.28Å; C157-F159 VanDerWaalsContact C-N 3.35Å; C157-F159 PolarHBondContact O-N 2.82Å; F159-K161 VanDerWaalsContact C-N 3.29Å; F159-K161 PolarHBondContact O-N 3.43Å; F159-L162 PolarHBondContact O-N 2.87Å
160	L	47.1	Very low	45.4	Very low	66 Å²	66	91.4 Å²	91.4	35%	0.346	45%	0.452	S	S	.	.	H	α-helix	trans	-66.7	-30.7	172.3	-68.8	170.9	0	0	0	112.3	A156 C157 L162 T163 M166	A156-L160 VanDerWaalsContact O-CG 3.23Å; A156-L160 WeakPolarHBondContact O-CG 3.43Å; A156-L160 PolarHBondContact O-N 3.23Å; A156-L160 VanDerWaalsContact O-N 3.15Å; C157-L160 PolarHBondContact O-N 2.89Å; L160-L162 PolarHBondContact O-N 3.26Å; L160-T163 PolarHBondContact O-N 2.98Å; L160-T163 VanDerWaalsContact O-N 3.11Å; L160-T163 PolarHBondContact O-OG1 2.93Å; L160-M166 HydrophobicContact CB-CE 4.15Å
161	K	44.8	Very low	47.1	Very low	99 Å²	99	89.5 Å²	89.5	43%	0.43	44%	0.442	S	S	.	.	H	α-helix	trans	-57.1	-33.2	172.6	-167.2	176.2	-177.7	174.7	0	113.1	C157 Y158 F159 T163	C157-K161 PolarHBondContact O-N 2.57Å; Y158-K161 VanDerWaalsContact O-CB 3.26Å; Y158-K161 WeakPolarHBondContact O-CB 3.38Å; Y158-K161 PolarHBondContact O-N 2.92Å; F159-K161 VanDerWaalsContact C-N 3.29Å; F159-K161 PolarHBondContact O-N 3.43Å; K161-T163 VanDerWaalsContact C-N 3.25Å; K161-T163 PolarHBondContact O-N 2.89Å
162	L	44.8	Very low	49.1	Very low	135 Å²	135	84.2 Å²	84.2	71%	0.707	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-15.6	178.9	-72	164.6	0	0	0	113.6	F159 L160	F159-L162 PolarHBondContact O-N 2.87Å; L160-L162 PolarHBondContact O-N 3.26Å
163	T	45.2	Very low	51.3	Low	75 Å²	75	81.8 Å²	81.8	46%	0.46	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	7.9	-172	63.4	0	0	0	0	114.5	L160 K161 K165	L160-T163 PolarHBondContact O-N 2.98Å; L160-T163 VanDerWaalsContact O-N 3.11Å; L160-T163 PolarHBondContact O-OG1 2.93Å; K161-T163 VanDerWaalsContact C-N 3.25Å; K161-T163 PolarHBondContact O-N 2.89Å; T163-K165 PolarHBondContact O-N 2.98Å
164	Q	43.1	Very low	53.7	Low	197 Å²	197	77 Å²	77	92%	0.921	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	33	-175.1	-74.1	-178.9	-16.6	0	0	113
165	K	42.5	Very low	56.4	Low	177 Å²	177	74.1 Å²	74.1	77%	0.77	36%	0.358	S	S	*	.			trans	-133.6	38.3	-173.9	-129	178.2	-172.7	176.8	0	111.8	T163	T163-K165 PolarHBondContact O-N 2.98Å
166	M	46.3	Very low	59	Low	89 Å²	89	70.9 Å²	70.9	44%	0.438	34%	0.344	S	S	.	.			trans	-96.8	116.4	157.3	-90.8	-172.2	-173	0	0	107.7	C110 C157 L160	C110-M166 VanDerWaalsContact SG-CE 3.52Å; C157-M166 HydrophobicContact CB-CE 3.96Å; C157-M166 WeakPolarHBondContact O-CE 3.39Å; L160-M166 HydrophobicContact CB-CE 4.15Å
167	R	44.4	Very low	61.5	Low	165 Å²	165	68.7 Å²	68.7	62%	0.623	33%	0.326	S	S	*	.			trans	-105.7	142.5	144.4	-71.5	163.4	83.1	139.4	7.7	104.4	D169 E172	R167-D169 HydrophobicContact CB-CB 4.37Å; R167-D169 WeakPolarHBondContact CB-OD1 3.36Å; R167-D169 VanDerWaalsContact CD-OD1 3.25Å; R167-D169 WeakPolarHBondContact CD-OD1 3.44Å; R167-D169 IonicContact NE-OD1 3.18Å; R167-D169 PolarHBondContact NE-OD1 3.1Å; R167-D169 PolarHBondContact O-N 3.42Å; R167-E172 IonicContact NE-OE1 3.85Å
168	L	52.8	Low	64	Low	22 Å²	22	68.8 Å²	68.8	12%	0.115	32%	0.324	C	S	.	.			trans	-67.6	50.1	160.2	-57.5	155.8	0	0	0	109.3	L109 A170 V171 E172 D194 L195	L109-L168 HydrophobicContact CB-CD2 3.9Å; L168-A170 PolarHBondContact O-N 2.97Å; L168-V171 PolarHBondContact O-N 3.43Å; L168-E172 WeakPolarHBondContact O-CG 3.22Å; L168-E172 PolarHBondContact O-N 3.12Å; L168-D194 HydrophobicContact CB-CB 3.91Å; L168-D194 WeakPolarHBondContact CB-OD2 3.19Å; L168-D194 HydrophobicContact CD1-CB 3.89Å; L168-D194 HydrophobicContact CG-CB 4.18Å; L168-D194 VanDerWaalsContact CG-OD2 3.24Å; L168-D194 WeakPolarHBondContact CG-OD2 3.46Å; L168-D194 PolarHBondContact N-OD2 3.02Å; L168-L195 HydrophobicContact CD1-CD2 3.86Å; L168-L195 HydrophobicContact CD1-CG 3.85Å
169	D	53.3	Low	66.7	Low	77 Å²	77	65.8 Å²	65.8	41%	0.412	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-15.2	176.5	-69.7	-35.2	0	0	0	110.7	P90 I111 R167	P90-D169 WeakPolarHBondContact CB-O 3.38Å; I111-D169 HydrophobicContact CD1-CB 4.36Å; R167-D169 HydrophobicContact CB-CB 4.37Å; R167-D169 WeakPolarHBondContact CB-OD1 3.36Å; R167-D169 VanDerWaalsContact CD-OD1 3.25Å; R167-D169 WeakPolarHBondContact CD-OD1 3.44Å; R167-D169 IonicContact NE-OD1 3.18Å; R167-D169 PolarHBondContact NE-OD1 3.1Å; R167-D169 PolarHBondContact O-N 3.42Å
170	A	60	Low	69.3	Low	1 Å²	1	61.7 Å²	61.7	1%	0.008	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-39.6	178.3	0	0	0	0	0	115.4	F87 H91 I111 L168	F87-A170 HydrophobicContact CD2-CB 4.48Å; H91-A170 CarbonylContact C-O 3.19Å; H91-A170 VanDerWaalsContact CA-O 3.27Å; H91-A170 WeakPolarHBondContact CA-O 3.15Å; H91-A170 PolarHBondContact N-O 2.66Å; I111-A170 HydrophobicContact CD1-CB 3.83Å; I111-A170 HydrophobicContact CG1-CB 3.55Å; L168-A170 PolarHBondContact O-N 2.97Å
171	V	78	Confident	71.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	-145.8	33.6	-165.8	-65.6	0	0	0	0	112.6	F87 L94 L109 L168 S173 L174 L195	F87-V171 HydrophobicContact CE2-CG1 4.13Å; L94-V171 HydrophobicContact CD2-CG1 3.8Å; L109-V171 HydrophobicContact CB-CG2 4.38Å; L109-V171 HydrophobicContact CD1-CG2 4.16Å; L168-V171 PolarHBondContact O-N 3.43Å; V171-S173 PolarHBondContact O-N 2.84Å; V171-L174 HydrophobicContact CB-CB 4.45Å; V171-L174 WeakPolarHBondContact O-CB 3.25Å; V171-L174 PolarHBondContact O-N 2.89Å; V171-L195 HydrophobicContact CG2-CD2 4.02Å
172	E	81.6	Confident	74.3	Confident	73 Å²	73	59 Å²	59	34%	0.341	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-24	-180	-57.4	-174.9	162.9	0	0	113.6	R167 L168 L174	R167-E172 IonicContact NE-OE1 3.85Å; L168-E172 WeakPolarHBondContact O-CG 3.22Å; L168-E172 PolarHBondContact O-N 3.12Å; E172-L174 VanDerWaalsContact C-N 3.25Å; E172-L174 PolarHBondContact O-N 2.94Å
173	S	90.4	Very high	76.8	Confident	13 Å²	13	59.6 Å²	59.6	9%	0.091	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	2.4	177.6	59.4	0	0	0	0	114.5	P92 L94 V171 Q175	P92-S173 VanDerWaalsContact C-OG 3.25Å; P92-S173 VanDerWaalsContact O-CB 3.26Å; P92-S173 WeakPolarHBondContact O-CB 3.31Å; P92-S173 PolarHBondContact O-OG 3.01Å; L94-S173 PolarHBondContact N-OG 3.27Å; L94-S173 CarbonylContact O-C 3.49Å; L94-S173 VanDerWaalsContact O-C 3.26Å; L94-S173 PolarHBondContact O-OG 3.01Å; V171-S173 PolarHBondContact O-N 2.84Å; S173-Q175 PolarHBondContact O-N 2.98Å
174	L	93.8	Very high	79.2	Confident	0 Å²	0	56 Å²	56	0%	0	25%	0.252	C	S	.	.			trans	-66	132.4	-173.3	-160.2	73.7	0	0	0	110.7	L94 R95 L97 V171 E172 L177 L195 Q197 L198	L94-L174 HydrophobicContact CD2-CD1 4.39Å; L94-L174 HydrophobicContact CG-CD1 4.1Å; L94-L174 WeakPolarHBondContact O-CA 3.25Å; L94-L174 PolarHBondContact O-N 2.97Å; R95-L174 WeakPolarHBondContact O-CD1 3.45Å; L97-L174 HydrophobicContact CB-CD1 3.67Å; L97-L174 HydrophobicContact CB-CD2 4.39Å; V171-L174 HydrophobicContact CB-CB 4.45Å; V171-L174 WeakPolarHBondContact O-CB 3.25Å; V171-L174 PolarHBondContact O-N 2.89Å; E172-L174 VanDerWaalsContact C-N 3.25Å; E172-L174 PolarHBondContact O-N 2.94Å; L174-L177 HydrophobicContact CD2-CB 3.82Å; L174-L177 HydrophobicContact CD2-CD1 4.1Å; L174-L177 HydrophobicContact CD2-CD2 4.22Å; L174-L177 HydrophobicContact CD2-CG 4.26Å; L174-L195 HydrophobicContact CB-CD2 4.25Å; L174-L195 HydrophobicContact CD2-CD1 4.39Å; L174-Q197 CarbonylContact O-C 3.26Å; L174-L198 HydrophobicContact CB-CD1 4.49Å; L174-L198 HydrophobicContact CD2-CD1 4.13Å; L174-L198 HydrophobicContact CG-CD1 4.16Å; L174-L198 VanDerWaalsContact O-CA 3.32Å; L174-L198 WeakPolarHBondContact O-CA 3.3Å; L174-L198 PolarHBondContact O-N 3.47Å; L174-L198 VanDerWaalsContact O-N 3.09Å
175	Q	96.9	Very high	81.6	Confident	52 Å²	52	48.8 Å²	48.8	24%	0.243	22%	0.224	C	C	.	.			trans	-115.2	-43.3	-173.7	-82.4	-179.6	13.2	0	0	110.5	R95 S173 Q197 L198 W199 E200	R95-Q175 HydrophobicContact CB-CB 4.21Å; R95-Q175 HydrophobicContact CB-CG 4.42Å; R95-Q175 WeakPolarHBondContact O-CA 3.39Å; R95-Q175 WeakPolarHBondContact O-CB 3.41Å; R95-Q175 PolarHBondContact O-N 2.55Å; S173-Q175 PolarHBondContact O-N 2.98Å; Q175-Q197 HydrophobicContact CG-CB 4.46Å; Q175-L198 WeakPolarHBondContact O-CD1 3.45Å; Q175-W199 VanDerWaalsContact C-CD1 3.43Å; Q175-W199 PolarHBondContact O-N 3.02Å; Q175-W199 PolarHBondContact O-NE1 2.88Å; Q175-E200 PolarHBondContact O-N 3.47Å; Q175-E200 VanDerWaalsContact O-N 3.1Å
176	V	98.2	Very high	83.7	Confident	12 Å²	12	41.8 Å²	41.8	7%	0.073	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.7	178.2	-178	0	0	0	0	109.7	R95 N96 L97 W199 E200	R95-V176 PolarHBondContact O-N 3Å; N96-V176 HydrophobicContact CB-CB 4.36Å; L97-V176 PolarHBondContact N-O 2.95Å; V176-W199 HydrophobicContact CG2-CZ2 4.37Å; V176-E200 HydrophobicContact CG1-CB 4.24Å; V176-E200 HydrophobicContact CG2-CB 4.25Å; V176-E200 HydrophobicContact CG2-CG 4.49Å
177	L	97.4	Very high	85.5	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	110	173.7	-179.4	53.7	0	0	0	110.1	L97 L99 L107 L109 L174 L179 L192 L195 L198 E200 L201 H202	L97-L177 HydrophobicContact CB-CD1 4.31Å; L97-L177 HydrophobicContact CD2-CD1 4.14Å; L97-L177 HydrophobicContact CG-CD1 4.23Å; L99-L177 HydrophobicContact CD1-CD1 4.2Å; L107-L177 HydrophobicContact CD2-CD2 4.25Å; L109-L177 HydrophobicContact CD1-CD2 4.44Å; L174-L177 HydrophobicContact CD2-CB 3.82Å; L174-L177 HydrophobicContact CD2-CD1 4.1Å; L174-L177 HydrophobicContact CD2-CD2 4.22Å; L174-L177 HydrophobicContact CD2-CG 4.26Å; L177-L179 HydrophobicContact CD1-CD1 4.11Å; L177-L179 HydrophobicContact CD1-CD2 4.45Å; L177-L179 HydrophobicContact CD1-CG 3.98Å; L177-L179 HydrophobicContact CD2-CD1 3.8Å; L177-L179 HydrophobicContact CG-CD1 3.75Å; L177-L179 HydrophobicContact CG-CG 3.99Å; L177-L192 HydrophobicContact CD2-CD2 4.25Å; L177-L195 HydrophobicContact CD2-CD1 4.21Å; L177-L198 HydrophobicContact CB-CD1 3.76Å; L177-E200 PolarHBondContact N-O 2.96Å; L177-L201 HydrophobicContact CB-CD1 4.06Å; L177-L201 HydrophobicContact CD2-CD1 3.95Å; L177-L201 HydrophobicContact CG-CD1 4Å; L177-H202 PolarHBondContact O-N 3.37Å
178	E	98.4	Very high	87.3	Confident	31 Å²	31	34.8 Å²	34.8	15%	0.145	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	108.5	-179.2	175.1	59.6	-103.6	0	0	110.7	L97 W98 L99 G100 S180 H202	L97-E178 PolarHBondContact O-N 2.94Å; W98-E178 HydrophobicContact CB-CB 4.42Å; W98-E178 HydrophobicContact CG-CB 4.31Å; L99-E178 CarbonylContact C-O 3.36Å; L99-E178 WeakPolarHBondContact CA-O 3.46Å; L99-E178 WeakPolarHBondContact CB-O 3.5Å; L99-E178 PolarHBondContact N-O 3.24Å; G100-E178 PolarHBondContact N-O 3.33Å; E178-S180 WeakPolarHBondContact OE1-CB 3.09Å; E178-S180 PolarHBondContact OE1-N 3.39Å; E178-S180 PolarHBondContact OE1-OG 3.15Å; E178-H202 VanDerWaalsContact OE1-CB 3.26Å; E178-H202 WeakPolarHBondContact OE1-CB 3.23Å; E178-H202 WeakPolarHBondContact OE2-CB 3.25Å; E178-H202 IonicContact OE2-CD2 3.97Å; E178-H202 PolarHBondContact OE2-CD2 3.42Å; E178-H202 IonicContact OE2-CG 2.89Å; E178-H202 IonicContact OE2-ND1 3.02Å
179	L	98.1	Very high	88.6	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.			trans	-121	13.7	-175.8	-73.6	164.5	0	0	0	112.6	L99 L107 L177 N182 I184 L201 H202 L203 N206	L99-L179 HydrophobicContact CB-CD2 3.83Å; L99-L179 HydrophobicContact CD1-CD2 3.75Å; L99-L179 HydrophobicContact CG-CD2 4.47Å; L107-L179 HydrophobicContact CD1-CD1 3.92Å; L107-L179 HydrophobicContact CD1-CD2 3.98Å; L107-L179 HydrophobicContact CD2-CD1 3.81Å; L107-L179 HydrophobicContact CG-CD1 4.39Å; L177-L179 HydrophobicContact CD1-CD1 4.11Å; L177-L179 HydrophobicContact CD1-CD2 4.45Å; L177-L179 HydrophobicContact CD1-CG 3.98Å; L177-L179 HydrophobicContact CD2-CD1 3.8Å; L177-L179 HydrophobicContact CG-CD1 3.75Å; L177-L179 HydrophobicContact CG-CG 3.99Å; L179-N182 PolarHBondContact O-ND2 3.14Å; L179-I184 HydrophobicContact CB-CD1 4.19Å; L179-I184 HydrophobicContact CD1-CD1 4.27Å; L179-I184 HydrophobicContact CD2-CD1 4.25Å; L179-I184 HydrophobicContact CG-CD1 4.5Å; L179-L201 HydrophobicContact CD1-CD1 4.4Å; L179-H202 CarbonylContact C-O 3.53Å; L179-H202 WeakPolarHBondContact CA-O 3.26Å; L179-H202 WeakPolarHBondContact CB-O 3.36Å; L179-H202 PolarHBondContact N-O 2.97Å; L179-L203 HydrophobicContact CB-CD2 3.94Å; L179-L203 HydrophobicContact CD1-CD2 3.94Å; L179-N206 PolarHBondContact O-ND2 2.95Å
180	S	98.7	Very high	89.7	Confident	11 Å²	11	36.7 Å²	36.7	8%	0.077	19%	0.192	C	C	.	.			trans	-61.1	157.5	-178.4	60.4	0	0	0	0	113.9	G100 N101 E178 N182 H202 Q204	G100-S180 CarbonylContact C-O 3.13Å; G100-S180 WeakPolarHBondContact CA-O 3.43Å; N101-S180 PolarHBondContact N-O 3.42Å; E178-S180 WeakPolarHBondContact OE1-CB 3.09Å; E178-S180 PolarHBondContact OE1-N 3.39Å; E178-S180 PolarHBondContact OE1-OG 3.15Å; S180-N182 VanDerWaalsContact C-N 3.3Å; S180-N182 PolarHBondContact O-N 3.43Å; S180-N182 PolarHBondContact O-ND2 3.25Å; S180-H202 PolarHBondContact N-O 3.36Å; S180-Q204 CarbonylContact C-O 3.59Å; S180-Q204 WeakPolarHBondContact CA-O 3.39Å; S180-Q204 VanDerWaalsContact CB-NE2 3.32Å; S180-Q204 VanDerWaalsContact CB-O 3.25Å; S180-Q204 WeakPolarHBondContact CB-O 3.44Å
181	F	98.6	Very high	90.6	Very high	98 Å²	98	37.9 Å²	37.9	43%	0.43	20%	0.199	S	C	.	.	S	Bend	trans	54.5	45.4	178.6	-59.9	-88.6	0	0	0	112.6	N101 N102 Q204 H205	N101-F181 VanDerWaalsContact CA-O 3.25Å; N101-F181 WeakPolarHBondContact CA-O 3.49Å; N101-F181 HydrophobicContact CB-CB 4.19Å; N101-F181 PolarHBondContact N-O 3.26Å; N102-F181 PolarHBondContact N-O 3.23Å; F181-Q204 PolarHBondContact N-O 3.28Å; F181-H205 VanDerWaalsContact CA-O 3.24Å; F181-H205 WeakPolarHBondContact CA-O 3.31Å; F181-H205 HydrophobicContact CD1-CB 3.55Å; F181-H205 AromaticContact CD1-CG 3.8Å; F181-H205 HydrophobicContact CD2-CB 4.28Å; F181-H205 HydrophobicContact CE1-CB 3.7Å; F181-H205 AromaticContact CE1-CD2 3.48Å; F181-H205 VanDerWaalsContact CE1-CD2 3.48Å; F181-H205 WeakPolarHBondContact CE1-CD2 3.48Å; F181-H205 AromaticContact CE1-CG 3.37Å; F181-H205 AromaticContact CE1-ND1 3.74Å; F181-H205 AromaticContact CE1-NE2 3.9Å; F181-H205 HydrophobicContact CE2-CB 4.41Å; F181-H205 AromaticContact CE2-CD2 3.63Å; F181-H205 HydrophobicContact CG-CB 3.86Å; F181-H205 HydrophobicContact CZ-CB 4.14Å; F181-H205 AromaticContact CZ-CD2 3.15Å; F181-H205 WeakPolarHBondContact CZ-CD2 3.45Å; F181-H205 AromaticContact CZ-CG 3.6Å; F181-H205 AromaticContact CZ-NE2 3.55Å; F181-H205 PolarHBondContact N-O 3.07Å
182	N	98.2	Very high	91	Very high	10 Å²	10	38 Å²	38	5%	0.053	20%	0.2	C	C	.	.	S	Bend	trans	-113.2	-163.6	171.9	-87.1	-77	0	0	0	109.8	L99 N102 S103 I104 L179 S180 I184 H205 N206	L99-N182 PolarHBondContact O-ND2 3.32Å; N102-N182 WeakPolarHBondContact CA-OD1 3.15Å; N102-N182 WeakPolarHBondContact CB-OD1 3.48Å; S103-N182 PolarHBondContact N-OD1 3.13Å; I104-N182 HydrophobicContact CB-CB 4.44Å; I104-N182 WeakPolarHBondContact CB-OD1 3.41Å; I104-N182 WeakPolarHBondContact CG1-OD1 3.32Å; I104-N182 PolarHBondContact N-OD1 3.04Å; L179-N182 PolarHBondContact O-ND2 3.14Å; S180-N182 VanDerWaalsContact C-N 3.3Å; S180-N182 PolarHBondContact O-N 3.43Å; S180-N182 PolarHBondContact O-ND2 3.25Å; N182-I184 HydrophobicContact CB-CD1 4.39Å; N182-I184 HydrophobicContact CB-CG1 4.18Å; N182-H205 PolarHBondContact N-O 2.99Å; N182-N206 VanDerWaalsContact CA-OD1 3.3Å; N182-N206 WeakPolarHBondContact CA-OD1 3.3Å; N182-N206 WeakPolarHBondContact CB-OD1 3.43Å; N182-N206 PolarHBondContact N-OD1 3.1Å; N182-N206 PolarHBondContact O-OD1 2.81Å
183	R	97.2	Very high	91	Very high	149 Å²	149	35 Å²	35	56%	0.562	19%	0.188	S	C	*	.			trans	-118.6	26	-179.2	-58.3	-177.7	-173.6	-170	2.3	111.6	I104 P105 S185 N206 L207	I104-R183 CarbonylContact O-C 3.15Å; I104-R183 VanDerWaalsContact O-C 3.28Å; I104-R183 WeakPolarHBondContact O-CA 3.28Å; I104-R183 PolarHBondContact O-N 3.46Å; P105-R183 WeakPolarHBondContact CA-O 3.42Å; R183-S185 PolarHBondContact O-N 3.02Å; R183-N206 PolarHBondContact N-OD1 3.44Å; R183-L207 HydrophobicContact CB-CD1 4.21Å
184	I	95.7	Very high	90.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.			trans	-69.2	114.4	-173.3	-58.9	172.2	0	0	0	109.1	I104 P105 L179 N182 L187 L203 N206 L207 I208	I104-I184 HydrophobicContact CG2-CG1 4.5Å; I104-I184 WeakPolarHBondContact O-CG1 3.31Å; I104-I184 PolarHBondContact O-N 3.32Å; P105-I184 WeakPolarHBondContact O-CA 3.19Å; L179-I184 HydrophobicContact CB-CD1 4.19Å; L179-I184 HydrophobicContact CD1-CD1 4.27Å; L179-I184 HydrophobicContact CD2-CD1 4.25Å; L179-I184 HydrophobicContact CG-CD1 4.5Å; N182-I184 HydrophobicContact CB-CD1 4.39Å; N182-I184 HydrophobicContact CB-CG1 4.18Å; I184-L187 HydrophobicContact CG2-CD2 3.92Å; I184-L187 HydrophobicContact CG2-CG 4.31Å; I184-L203 HydrophobicContact CD1-CD2 4.19Å; I184-N206 HydrophobicContact CB-CB 4.27Å; I184-N206 WeakPolarHBondContact CB-OD1 3.42Å; I184-N206 WeakPolarHBondContact CG1-OD1 3.49Å; I184-N206 PolarHBondContact N-OD1 2.91Å; I184-L207 CarbonylContact O-C 3.4Å; I184-L207 VanDerWaalsContact O-CA 3.32Å; I184-L207 WeakPolarHBondContact O-CA 3.29Å; I184-L207 PolarHBondContact O-N 3.17Å; I184-I208 HydrophobicContact CG2-CG1 4.31Å; I184-I208 WeakPolarHBondContact O-CG1 3.44Å; I184-I208 PolarHBondContact O-N 2.92Å; I184-I208 VanDerWaalsContact O-N 3.12Å
185	S	92.9	Very high	90.2	Very high	45 Å²	45	36.3 Å²	36.3	32%	0.315	19%	0.194	S	C	.	.			trans	-94	-22.1	179.6	62.5	0	0	0	0	113.8	R183 L207 I208 T209	R183-S185 PolarHBondContact O-N 3.02Å; S185-L207 WeakPolarHBondContact CA-O 3.49Å; S185-I208 WeakPolarHBondContact O-CA 3.42Å; S185-T209 PolarHBondContact O-N 3.45Å
186	S	86.8	Confident	89.9	Confident	30 Å²	30	38.1 Å²	38.1	21%	0.21	20%	0.202	C	C	.	.			trans	-161.2	143.4	-178.4	58.3	0	0	0	0	109.6
187	L	84.4	Confident	89.7	Confident	12 Å²	12	42.2 Å²	42.2	6%	0.063	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-100.7	133.6	167.8	-65.1	169.2	0	0	0	108.2	L107 I184 V191 L203 I208 M215	L107-L187 HydrophobicContact CB-CD2 4.02Å; L107-L187 HydrophobicContact CD2-CD2 4.26Å; I184-L187 HydrophobicContact CG2-CD2 3.92Å; I184-L187 HydrophobicContact CG2-CG 4.31Å; L187-V191 HydrophobicContact CB-CG1 4.33Å; L187-V191 HydrophobicContact CD2-CG1 4.45Å; L187-L203 HydrophobicContact CD1-CD1 3.68Å; L187-L203 HydrophobicContact CD1-CD2 4.35Å; L187-I208 HydrophobicContact CD1-CD1 4.44Å; L187-M215 HydrophobicContact CB-CE 3.66Å; L187-M215 HydrophobicContact CB-CG 4.46Å; L187-M215 HydrophobicContact CB-SD 3.61Å; L187-M215 HydrophobicContact CD1-SD 3.75Å; L187-M215 HydrophobicContact CG-SD 4.26Å; L187-M215 WeakPolarHBondContact O-CE 3.48Å
188	Q	81.3	Confident	89.7	Confident	95 Å²	95	42.2 Å²	42.2	44%	0.444	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-77.1	143	176.9	-65.1	-170.9	-0.5	0	0	110	G190 V191	Q188-G190 PolarHBondContact O-N 3.03Å; Q188-V191 HydrophobicContact CB-CB 4.45Å; Q188-V191 VanDerWaalsContact O-CB 3.31Å; Q188-V191 WeakPolarHBondContact O-CB 3.16Å; Q188-V191 WeakPolarHBondContact O-CG1 3.16Å; Q188-V191 PolarHBondContact O-N 3.25Å; Q188-V191 VanDerWaalsContact O-N 3.1Å
189	L	80.4	Confident	89.6	Confident	90 Å²	90	45.1 Å²	45.1	47%	0.471	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	135	169.7	-78.3	176.1	0	0	0	111	V191 D212 Q214	L189-V191 VanDerWaalsContact C-N 3.26Å; L189-V191 PolarHBondContact O-N 2.98Å; L189-D212 HydrophobicContact CD2-CB 3.8Å; L189-D212 VanDerWaalsContact CD2-CG 3.44Å; L189-D212 WeakPolarHBondContact CD2-OD1 3.38Å; L189-D212 HydrophobicContact CG-CB 4.31Å; L189-Q214 HydrophobicContact CD2-CB 4.05Å
190	G	77.1	Confident	89.6	Confident	49 Å²	49	47.4 Å²	47.4	51%	0.505	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-5	-179.1	0	0	0	0	0	115.6	Q188 L192 G193	Q188-G190 PolarHBondContact O-N 3.03Å; G190-L192 PolarHBondContact O-N 3.16Å; G190-L192 VanDerWaalsContact O-N 3.16Å; G190-G193 PolarHBondContact O-N 3.42Å
191	V	78.3	Confident	89.6	Confident	25 Å²	25	46.9 Å²	46.9	15%	0.152	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.1	-179.8	77.6	0	0	0	0	113.4	L107 L187 Q188 L189	L107-V191 HydrophobicContact CB-CG2 4.47Å; L107-V191 HydrophobicContact CD2-CG1 4.5Å; L107-V191 HydrophobicContact CG-CG2 4.36Å; L107-V191 WeakPolarHBondContact O-CG2 3.24Å; L187-V191 HydrophobicContact CB-CG1 4.33Å; L187-V191 HydrophobicContact CD2-CG1 4.45Å; Q188-V191 HydrophobicContact CB-CB 4.45Å; Q188-V191 VanDerWaalsContact O-CB 3.31Å; Q188-V191 WeakPolarHBondContact O-CB 3.16Å; Q188-V191 WeakPolarHBondContact O-CG1 3.16Å; Q188-V191 PolarHBondContact O-N 3.25Å; Q188-V191 VanDerWaalsContact O-N 3.1Å; L189-V191 VanDerWaalsContact C-N 3.26Å; L189-V191 PolarHBondContact O-N 2.98Å
192	L	86.1	Confident	89.6	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.016	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	3.3	175.8	-55.9	173.5	0	0	0	112	L107 L177 G190 D194 L195 L201 F216 L219	L107-L192 HydrophobicContact CD2-CD2 3.62Å; L177-L192 HydrophobicContact CD2-CD2 4.25Å; G190-L192 PolarHBondContact O-N 3.16Å; G190-L192 VanDerWaalsContact O-N 3.16Å; L192-D194 VanDerWaalsContact C-N 3.34Å; L192-D194 PolarHBondContact O-N 3.24Å; L192-L195 HydrophobicContact CB-CD1 4.44Å; L192-L195 HydrophobicContact CD2-CD1 3.81Å; L192-L195 WeakPolarHBondContact O-CB 3.36Å; L192-L195 PolarHBondContact O-N 3.1Å; L192-L201 HydrophobicContact CD1-CD2 3.67Å; L192-F216 HydrophobicContact CD1-CD1 4.2Å; L192-F216 HydrophobicContact CD1-CE1 4.13Å; L192-L219 HydrophobicContact CB-CD1 4.4Å; L192-L219 HydrophobicContact CB-CD2 4.14Å; L192-L219 HydrophobicContact CD1-CD1 4.16Å; L192-L219 WeakPolarHBondContact O-CD2 3.11Å
193	G	81.7	Confident	89.6	Confident	10 Å²	10	42.9 Å²	42.9	10%	0.103	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-37.6	-163.4	0	0	0	0	0	114.3	G190 H196 D218	G190-G193 PolarHBondContact O-N 3.42Å; G193-H196 PolarHBondContact O-CE1 2.88Å; G193-H196 PolarHBondContact O-ND1 3.42Å; G193-D218 VanDerWaalsContact O-CB 3.29Å; G193-D218 WeakPolarHBondContact O-CB 3.17Å
194	D	79.7	Confident	89.7	Confident	40 Å²	40	36.9 Å²	36.9	21%	0.214	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	4.8	-179.4	-38	-75.3	0	0	0	113.6	L168 L192 H196	L168-D194 HydrophobicContact CB-CB 3.91Å; L168-D194 WeakPolarHBondContact CB-OD2 3.19Å; L168-D194 HydrophobicContact CD1-CB 3.89Å; L168-D194 HydrophobicContact CG-CB 4.18Å; L168-D194 VanDerWaalsContact CG-OD2 3.24Å; L168-D194 WeakPolarHBondContact CG-OD2 3.46Å; L168-D194 PolarHBondContact N-OD2 3.02Å; L192-D194 VanDerWaalsContact C-N 3.34Å; L192-D194 PolarHBondContact O-N 3.24Å; D194-H196 PolarHBondContact O-N 2.82Å
195	L	88.7	Confident	89.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.			trans	-84.6	51.7	179.1	-54.7	-176.5	0	0	0	111.7	L109 L168 V171 L174 L177 L192 Q197 L198 L219	L109-L195 HydrophobicContact CD1-CD1 4.37Å; L168-L195 HydrophobicContact CD1-CD2 3.86Å; L168-L195 HydrophobicContact CD1-CG 3.85Å; V171-L195 HydrophobicContact CG2-CD2 4.02Å; L174-L195 HydrophobicContact CB-CD2 4.25Å; L174-L195 HydrophobicContact CD2-CD1 4.39Å; L177-L195 HydrophobicContact CD2-CD1 4.21Å; L192-L195 HydrophobicContact CB-CD1 4.44Å; L192-L195 HydrophobicContact CD2-CD1 3.81Å; L192-L195 WeakPolarHBondContact O-CB 3.36Å; L192-L195 PolarHBondContact O-N 3.1Å; L195-Q197 PolarHBondContact O-N 3.41Å; L195-Q197 VanDerWaalsContact O-N 3.12Å; L195-L198 HydrophobicContact CB-CB 4.04Å; L195-L198 HydrophobicContact CB-CD2 4.48Å; L195-L198 HydrophobicContact CD1-CD2 4.26Å; L195-L198 WeakPolarHBondContact O-CB 3.45Å; L195-L198 PolarHBondContact O-N 2.85Å; L195-L219 HydrophobicContact CB-CD2 4.03Å; L195-L219 WeakPolarHBondContact O-CD2 3.32Å
196	H	90.6	Very high	90.1	Very high	90 Å²	90	38.2 Å²	38.2	42%	0.417	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.5	-173.7	-55.8	-58.5	0	0	0	114.1	G193 D194 D218 Q221	G193-H196 PolarHBondContact O-CE1 2.88Å; G193-H196 PolarHBondContact O-ND1 3.42Å; D194-H196 PolarHBondContact O-N 2.82Å; H196-D218 PolarHBondContact ND1-O 2.93Å; H196-D218 VanDerWaalsContact ND1-O 3.09Å; H196-Q221 VanDerWaalsContact O-CG 3.24Å; H196-Q221 WeakPolarHBondContact O-CG 3.33Å
197	Q	94.1	Very high	90.7	Very high	98 Å²	98	40.9 Å²	40.9	46%	0.458	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-1	177.3	-60	-167.5	3.1	0	0	113.7	L174 Q175 L195 W199	L174-Q197 CarbonylContact O-C 3.26Å; Q175-Q197 HydrophobicContact CG-CB 4.46Å; L195-Q197 PolarHBondContact O-N 3.41Å; L195-Q197 VanDerWaalsContact O-N 3.12Å; Q197-W199 PolarHBondContact O-N 2.86Å
198	L	95.9	Very high	91.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.208	C	C	.	.			trans	-70.2	121.1	-175.8	-163.8	75.5	0	0	0	110	L174 Q175 L177 L195 L201 L219 Q221 L222	L174-L198 HydrophobicContact CB-CD1 4.49Å; L174-L198 HydrophobicContact CD2-CD1 4.13Å; L174-L198 HydrophobicContact CG-CD1 4.16Å; L174-L198 VanDerWaalsContact O-CA 3.32Å; L174-L198 WeakPolarHBondContact O-CA 3.3Å; L174-L198 PolarHBondContact O-N 3.47Å; L174-L198 VanDerWaalsContact O-N 3.09Å; Q175-L198 WeakPolarHBondContact O-CD1 3.45Å; L177-L198 HydrophobicContact CB-CD1 3.76Å; L195-L198 HydrophobicContact CB-CB 4.04Å; L195-L198 HydrophobicContact CB-CD2 4.48Å; L195-L198 HydrophobicContact CD1-CD2 4.26Å; L195-L198 WeakPolarHBondContact O-CB 3.45Å; L195-L198 PolarHBondContact O-N 2.85Å; L198-L201 HydrophobicContact CD2-CB 4.01Å; L198-L201 HydrophobicContact CD2-CD1 4.4Å; L198-L201 HydrophobicContact CD2-CD2 4.39Å; L198-L219 HydrophobicContact CB-CD2 4.37Å; L198-L219 HydrophobicContact CD2-CD1 4.28Å; L198-L219 HydrophobicContact CD2-CD2 4.34Å; L198-Q221 CarbonylContact O-C 3.2Å; L198-Q221 VanDerWaalsContact O-C 3.27Å; L198-L222 HydrophobicContact CD2-CD1 4.44Å; L198-L222 HydrophobicContact CG-CD1 4.5Å; L198-L222 WeakPolarHBondContact O-CA 3.34Å; L198-L222 PolarHBondContact O-N 3.19Å
199	W	97.6	Very high	91.9	Very high	92 Å²	92	39.1 Å²	39.1	35%	0.348	21%	0.207	S	C	.	.			trans	-113.3	-20.2	177.4	67.2	-64.6	0	0	0	112.7	Q175 V176 Q197 Q221 K223 V224	Q175-W199 VanDerWaalsContact C-CD1 3.43Å; Q175-W199 PolarHBondContact O-N 3.02Å; Q175-W199 PolarHBondContact O-NE1 2.88Å; V176-W199 HydrophobicContact CG2-CZ2 4.37Å; Q197-W199 PolarHBondContact O-N 2.86Å; W199-Q221 WeakPolarHBondContact CA-O 3.4Å; W199-Q221 VanDerWaalsContact CB-O 3.31Å; W199-Q221 WeakPolarHBondContact CB-O 3.33Å; W199-K223 HydrophobicContact CB-CG 4.41Å; W199-K223 HydrophobicContact CE3-CD 4.12Å; W199-K223 WeakPolarHBondContact O-CA 3.44Å; W199-K223 PolarHBondContact O-N 2.97Å; W199-V224 PolarHBondContact O-N 2.98Å
200	E	98.6	Very high	92.4	Very high	48 Å²	48	39.9 Å²	39.9	22%	0.224	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.9	172.6	-59.9	-166.6	-172.3	0	0	112.4	Q175 V176 L177 H202 V224	Q175-E200 PolarHBondContact O-N 3.47Å; Q175-E200 VanDerWaalsContact O-N 3.1Å; V176-E200 HydrophobicContact CG1-CB 4.24Å; V176-E200 HydrophobicContact CG2-CB 4.25Å; V176-E200 HydrophobicContact CG2-CG 4.49Å; L177-E200 PolarHBondContact N-O 2.96Å; E200-H202 IonicContact OE2-CE1 3.83Å; E200-H202 IonicContact OE2-NE2 3.92Å; E200-H202 PolarHBondContact OE2-NE2 3.24Å; E200-V224 HydrophobicContact CB-CB 4.42Å; E200-V224 HydrophobicContact CG-CB 4.13Å; E200-V224 HydrophobicContact CG-CG2 4.2Å
201	L	98.1	Very high	93.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.3	173.3	179.6	55.8	0	0	0	110.3	L177 L179 L192 L198 L203 F216 L219 L222 V224 L225 D226	L177-L201 HydrophobicContact CB-CD1 4.06Å; L177-L201 HydrophobicContact CD2-CD1 3.95Å; L177-L201 HydrophobicContact CG-CD1 4Å; L179-L201 HydrophobicContact CD1-CD1 4.4Å; L192-L201 HydrophobicContact CD1-CD2 3.67Å; L198-L201 HydrophobicContact CD2-CB 4.01Å; L198-L201 HydrophobicContact CD2-CD1 4.4Å; L198-L201 HydrophobicContact CD2-CD2 4.39Å; L201-L203 HydrophobicContact CD1-CD1 4.24Å; L201-L203 HydrophobicContact CD1-CG 4.13Å; L201-L203 HydrophobicContact CD2-CD1 3.88Å; L201-L203 HydrophobicContact CG-CD1 3.86Å; L201-L203 HydrophobicContact CG-CG 4.12Å; L201-F216 HydrophobicContact CD2-CD1 4.35Å; L201-F216 HydrophobicContact CD2-CE1 3.96Å; L201-L219 HydrophobicContact CD2-CD1 4.41Å; L201-L222 HydrophobicContact CB-CD1 4Å; L201-V224 PolarHBondContact N-O 2.95Å; L201-L225 HydrophobicContact CB-CD1 4.21Å; L201-L225 HydrophobicContact CD2-CD1 3.93Å; L201-L225 HydrophobicContact CG-CD1 4.05Å; L201-L225 WeakPolarHBondContact O-CA 3.15Å; L201-D226 PolarHBondContact O-N 2.93Å
202	H	98.7	Very high	93.7	Very high	25 Å²	25	39.8 Å²	39.8	12%	0.116	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	114.4	-178.2	-60.1	-81	0	0	0	110.1	L177 E178 L179 S180 E200	L177-H202 PolarHBondContact O-N 3.37Å; E178-H202 VanDerWaalsContact OE1-CB 3.26Å; E178-H202 WeakPolarHBondContact OE1-CB 3.23Å; E178-H202 WeakPolarHBondContact OE2-CB 3.25Å; E178-H202 IonicContact OE2-CD2 3.97Å; E178-H202 PolarHBondContact OE2-CD2 3.42Å; E178-H202 IonicContact OE2-CG 2.89Å; E178-H202 IonicContact OE2-ND1 3.02Å; L179-H202 CarbonylContact C-O 3.53Å; L179-H202 WeakPolarHBondContact CA-O 3.26Å; L179-H202 WeakPolarHBondContact CB-O 3.36Å; L179-H202 PolarHBondContact N-O 2.97Å; S180-H202 PolarHBondContact N-O 3.36Å; E200-H202 IonicContact OE2-CE1 3.83Å; E200-H202 IonicContact OE2-NE2 3.92Å; E200-H202 PolarHBondContact OE2-NE2 3.24Å
203	L	98.5	Very high	93.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.			trans	-126	11.9	-175.9	-73.5	162.2	0	0	0	112.1	L179 I184 L187 L201 N206 I208 L225 D226 L227 N230	L179-L203 HydrophobicContact CB-CD2 3.94Å; L179-L203 HydrophobicContact CD1-CD2 3.94Å; I184-L203 HydrophobicContact CD1-CD2 4.19Å; L187-L203 HydrophobicContact CD1-CD1 3.68Å; L187-L203 HydrophobicContact CD1-CD2 4.35Å; L201-L203 HydrophobicContact CD1-CD1 4.24Å; L201-L203 HydrophobicContact CD1-CG 4.13Å; L201-L203 HydrophobicContact CD2-CD1 3.88Å; L201-L203 HydrophobicContact CG-CD1 3.86Å; L201-L203 HydrophobicContact CG-CG 4.12Å; L203-N206 WeakPolarHBondContact O-CB 2.98Å; L203-N206 PolarHBondContact O-ND2 2.97Å; L203-I208 HydrophobicContact CB-CD1 4.21Å; L203-I208 HydrophobicContact CD1-CD1 4.27Å; L203-I208 HydrophobicContact CD2-CD1 4.31Å; L203-L225 HydrophobicContact CD1-CD1 4.27Å; L203-D226 CarbonylContact C-O 3.59Å; L203-D226 VanDerWaalsContact C-O 3.31Å; L203-D226 VanDerWaalsContact CA-O 3.29Å; L203-D226 WeakPolarHBondContact CA-O 3.12Å; L203-D226 WeakPolarHBondContact CB-O 3.4Å; L203-D226 PolarHBondContact N-O 2.75Å; L203-L227 HydrophobicContact CB-CD2 4.03Å; L203-L227 HydrophobicContact CD1-CD2 3.92Å; L203-N230 PolarHBondContact O-ND2 3.09Å
204	Q	98.8	Very high	94.1	Very high	22 Å²	22	45.6 Å²	45.6	10%	0.103	22%	0.221	C	C	.	.			trans	-62.7	151.2	-177.9	67.5	-79.9	10	0	0	112.7	S180 F181 D226 R228	S180-Q204 CarbonylContact C-O 3.59Å; S180-Q204 WeakPolarHBondContact CA-O 3.39Å; S180-Q204 VanDerWaalsContact CB-NE2 3.32Å; S180-Q204 VanDerWaalsContact CB-O 3.25Å; S180-Q204 WeakPolarHBondContact CB-O 3.44Å; F181-Q204 PolarHBondContact N-O 3.28Å; Q204-D226 PolarHBondContact N-O 3.12Å; Q204-D226 VanDerWaalsContact N-O 3.17Å; Q204-R228 CarbonylContact C-O 3.17Å; Q204-R228 WeakPolarHBondContact CA-O 3.4Å; Q204-R228 HydrophobicContact CB-CB 4.17Å; Q204-R228 VanDerWaalsContact CB-O 3.31Å; Q204-R228 WeakPolarHBondContact CB-O 3.3Å
205	H	98.7	Very high	94.3	Very high	69 Å²	69	44.3 Å²	44.3	32%	0.319	21%	0.214	S	C	.	.	S	Bend	trans	57.2	47.9	-177.1	-61	-84.2	0	0	0	113	F181 N182 R228 F229	F181-H205 VanDerWaalsContact CA-O 3.24Å; F181-H205 WeakPolarHBondContact CA-O 3.31Å; F181-H205 HydrophobicContact CD1-CB 3.55Å; F181-H205 AromaticContact CD1-CG 3.8Å; F181-H205 HydrophobicContact CD2-CB 4.28Å; F181-H205 HydrophobicContact CE1-CB 3.7Å; F181-H205 AromaticContact CE1-CD2 3.48Å; F181-H205 VanDerWaalsContact CE1-CD2 3.48Å; F181-H205 WeakPolarHBondContact CE1-CD2 3.48Å; F181-H205 AromaticContact CE1-CG 3.37Å; F181-H205 AromaticContact CE1-ND1 3.74Å; F181-H205 AromaticContact CE1-NE2 3.9Å; F181-H205 HydrophobicContact CE2-CB 4.41Å; F181-H205 AromaticContact CE2-CD2 3.63Å; F181-H205 HydrophobicContact CG-CB 3.86Å; F181-H205 HydrophobicContact CZ-CB 4.14Å; F181-H205 AromaticContact CZ-CD2 3.15Å; F181-H205 WeakPolarHBondContact CZ-CD2 3.45Å; F181-H205 AromaticContact CZ-CG 3.6Å; F181-H205 AromaticContact CZ-NE2 3.55Å; F181-H205 PolarHBondContact N-O 3.07Å; N182-H205 PolarHBondContact N-O 2.99Å; H205-R228 PolarHBondContact N-O 2.91Å; H205-F229 VanDerWaalsContact CA-O 3.31Å; H205-F229 WeakPolarHBondContact CA-O 3.48Å; H205-F229 AromaticContact CD2-CD2 3.95Å; H205-F229 AromaticContact CE1-CD2 3.44Å; H205-F229 VanDerWaalsContact CE1-CD2 3.44Å; H205-F229 WeakPolarHBondContact CE1-CD2 3.31Å; H205-F229 AromaticContact CE1-CG 3.49Å; H205-F229 VanDerWaalsContact CE1-CG 3.49Å; H205-F229 WeakPolarHBondContact CE1-CG 3.46Å; H205-F229 PolarHBondContact N-O 3.08Å; H205-F229 AromaticContact ND1-CG 3.93Å; H205-F229 AromaticContact NE2-CD2 3.27Å; H205-F229 VanDerWaalsContact NE2-CD2 3.27Å; H205-F229 WeakPolarHBondContact NE2-CD2 3.45Å; H205-F229 AromaticContact NE2-CE2 3.83Å; H205-F229 AromaticContact NE2-CG 3.82Å
206	N	98.7	Very high	94.3	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.027	22%	0.215	C	C	.	.	S	Bend	trans	-115.7	-166	168.6	-85.5	-78.3	0	0	0	109.7	L179 N182 R183 I184 L203 I208 N230	L179-N206 PolarHBondContact O-ND2 2.95Å; N182-N206 VanDerWaalsContact CA-OD1 3.3Å; N182-N206 WeakPolarHBondContact CA-OD1 3.3Å; N182-N206 WeakPolarHBondContact CB-OD1 3.43Å; N182-N206 PolarHBondContact N-OD1 3.1Å; N182-N206 PolarHBondContact O-OD1 2.81Å; R183-N206 PolarHBondContact N-OD1 3.44Å; I184-N206 HydrophobicContact CB-CB 4.27Å; I184-N206 WeakPolarHBondContact CB-OD1 3.42Å; I184-N206 WeakPolarHBondContact CG1-OD1 3.49Å; I184-N206 PolarHBondContact N-OD1 2.91Å; L203-N206 WeakPolarHBondContact O-CB 2.98Å; L203-N206 PolarHBondContact O-ND2 2.97Å; N206-I208 HydrophobicContact CB-CG1 4.3Å; N206-N230 WeakPolarHBondContact CA-OD1 3.31Å; N206-N230 WeakPolarHBondContact CB-OD1 3.44Å; N206-N230 PolarHBondContact O-OD1 3.26Å
207	L	98.1	Very high	94.1	Very high	86 Å²	86	46.3 Å²	46.3	45%	0.45	22%	0.223	S	C	.	.			trans	-115.5	22.1	-175.9	-58.2	176.3	0	0	0	112	R183 I184 S185 T209 N230 M231	R183-L207 HydrophobicContact CB-CD1 4.21Å; I184-L207 CarbonylContact O-C 3.4Å; I184-L207 VanDerWaalsContact O-CA 3.32Å; I184-L207 WeakPolarHBondContact O-CA 3.29Å; I184-L207 PolarHBondContact O-N 3.17Å; S185-L207 WeakPolarHBondContact CA-O 3.49Å; L207-T209 PolarHBondContact O-N 3.32Å; L207-N230 PolarHBondContact N-OD1 2.72Å; L207-M231 HydrophobicContact CD2-CG 4.4Å
208	I	96.9	Very high	93.8	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.22	C	C	.	.			trans	-65.4	123.6	-172.4	-59.2	171.9	0	0	0	109.6	I184 S185 L187 L203 N206 H210 L211 L227 N230 M231 L232	I184-I208 HydrophobicContact CG2-CG1 4.31Å; I184-I208 WeakPolarHBondContact O-CG1 3.44Å; I184-I208 PolarHBondContact O-N 2.92Å; I184-I208 VanDerWaalsContact O-N 3.12Å; S185-I208 WeakPolarHBondContact O-CA 3.42Å; L187-I208 HydrophobicContact CD1-CD1 4.44Å; L203-I208 HydrophobicContact CB-CD1 4.21Å; L203-I208 HydrophobicContact CD1-CD1 4.27Å; L203-I208 HydrophobicContact CD2-CD1 4.31Å; N206-I208 HydrophobicContact CB-CG1 4.3Å; I208-H210 WeakPolarHBondContact CG2-O 3.49Å; I208-L211 HydrophobicContact CG2-CD2 3.98Å; I208-L227 HydrophobicContact CD1-CD2 4.03Å; I208-N230 HydrophobicContact CB-CB 4.19Å; I208-N230 VanDerWaalsContact CB-OD1 3.3Å; I208-N230 WeakPolarHBondContact CB-OD1 3.43Å; I208-N230 WeakPolarHBondContact CG1-OD1 3.34Å; I208-N230 PolarHBondContact N-OD1 2.88Å; I208-M231 CarbonylContact O-C 3.42Å; I208-M231 VanDerWaalsContact O-CA 3.29Å; I208-M231 WeakPolarHBondContact O-CA 3.01Å; I208-M231 PolarHBondContact O-N 3.06Å; I208-L232 HydrophobicContact CG2-CD2 4.09Å; I208-L232 PolarHBondContact O-N 3.38Å
209	T	95	Very high	93.6	Very high	69 Å²	69	45.4 Å²	45.4	42%	0.423	22%	0.222	S	C	.	.			trans	-101.9	-22.7	-176.4	55.6	0	0	0	0	114.2	S185 L207 M231	S185-T209 PolarHBondContact O-N 3.45Å; L207-T209 PolarHBondContact O-N 3.32Å; T209-M231 HydrophobicContact CG2-CB 4.01Å
210	H	91.4	Very high	93.2	Very high	106 Å²	106	48.3 Å²	48.3	49%	0.491	24%	0.239	S	C	.	.			trans	-149.7	155.5	-178.8	58.6	-75.2	0	0	0	110.6	I208	I208-H210 WeakPolarHBondContact CG2-O 3.49Å
211	L	91.9	Very high	93.1	Very high	19 Å²	19	51.1 Å²	51.1	10%	0.099	25%	0.252	C	S	.	.			trans	-120.8	128.2	174.2	-59.2	173.7	0	0	0	108.5	I208 M215 F216 L227 L232 T239 L243	I208-L211 HydrophobicContact CG2-CD2 3.98Å; L211-M215 HydrophobicContact CD2-SD 4.41Å; L211-F216 HydrophobicContact CD2-CE2 4.36Å; L211-F216 HydrophobicContact CD2-CZ 4.36Å; L211-L227 HydrophobicContact CD1-CD1 3.74Å; L211-L227 HydrophobicContact CD2-CD1 4.16Å; L211-L227 HydrophobicContact CD2-CD2 4.18Å; L211-L232 HydrophobicContact CD1-CD1 3.98Å; L211-L232 HydrophobicContact CD1-CD2 4.46Å; L211-L232 HydrophobicContact CD2-CD2 4.39Å; L211-L232 HydrophobicContact CG-CD1 4.28Å; L211-L232 HydrophobicContact CG-CD2 3.9Å; L211-T239 HydrophobicContact CB-CG2 3.86Å; L211-T239 HydrophobicContact CD1-CG2 4.36Å; L211-L243 HydrophobicContact CD1-CD1 4.05Å
212	D	90.1	Very high	93	Very high	53 Å²	53	51.4 Å²	51.4	28%	0.283	25%	0.254	S	S	.	.			trans	-76.3	133.9	170.4	-166.8	-66.3	0	0	0	109.6	L189 Q214 M215	L189-D212 HydrophobicContact CD2-CB 3.8Å; L189-D212 VanDerWaalsContact CD2-CG 3.44Å; L189-D212 WeakPolarHBondContact CD2-OD1 3.38Å; L189-D212 HydrophobicContact CG-CB 4.31Å; D212-Q214 PolarHBondContact O-N 3.3Å; D212-Q214 VanDerWaalsContact O-N 3.11Å; D212-Q214 PolarHBondContact OD1-N 2.81Å; D212-M215 HydrophobicContact CB-CB 4.25Å; D212-M215 HydrophobicContact CB-CE 3.98Å; D212-M215 WeakPolarHBondContact O-CB 3.19Å; D212-M215 PolarHBondContact O-N 2.74Å; D212-M215 VanDerWaalsContact O-N 3.1Å
213	P	87.3	Confident	93	Very high	19 Å²	19	55.9 Å²	55.9	12%	0.123	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.2	178.6	-20.5	30	0	0	0	115.8	L238 T242	P213-L238 HydrophobicContact CB-CB 4.21Å; P213-L238 HydrophobicContact CB-CD2 3.83Å; P213-L238 HydrophobicContact CB-CG 3.65Å; P213-L238 HydrophobicContact CG-CB 4.06Å; P213-L238 HydrophobicContact CG-CD2 3.92Å; P213-L238 HydrophobicContact CG-CG 3.96Å; P213-T242 WeakPolarHBondContact O-CB 3.44Å; P213-T242 WeakPolarHBondContact O-CG2 3.44Å; P213-T242 PolarHBondContact O-OG1 3.25Å
214	Q	87.9	Confident	93	Very high	116 Å²	116	57.1 Å²	57.1	54%	0.542	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-2.5	178.4	-64.1	-177.2	-25.6	0	0	113.2	L189 D212 F216 Q217	L189-Q214 HydrophobicContact CD2-CB 4.05Å; D212-Q214 PolarHBondContact O-N 3.3Å; D212-Q214 VanDerWaalsContact O-N 3.11Å; D212-Q214 PolarHBondContact OD1-N 2.81Å; Q214-F216 PolarHBondContact O-N 3.02Å; Q214-F216 VanDerWaalsContact O-N 3.12Å; Q214-Q217 WeakPolarHBondContact O-CB 3.21Å; Q214-Q217 PolarHBondContact O-N 2.77Å
215	M	85	Confident	92.9	Very high	12 Å²	12	56 Å²	56	6%	0.059	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.3	-171.2	-175.1	168.1	-71.7	0	0	115.1	L187 L211 D212	L187-M215 HydrophobicContact CB-CE 3.66Å; L187-M215 HydrophobicContact CB-CG 4.46Å; L187-M215 HydrophobicContact CB-SD 3.61Å; L187-M215 HydrophobicContact CD1-SD 3.75Å; L187-M215 HydrophobicContact CG-SD 4.26Å; L187-M215 WeakPolarHBondContact O-CE 3.48Å; L211-M215 HydrophobicContact CD2-SD 4.41Å; D212-M215 HydrophobicContact CB-CB 4.25Å; D212-M215 HydrophobicContact CB-CE 3.98Å; D212-M215 WeakPolarHBondContact O-CB 3.19Å; D212-M215 PolarHBondContact O-N 2.74Å; D212-M215 VanDerWaalsContact O-N 3.1Å
216	F	89.3	Confident	92.9	Very high	6 Å²	6	52.9 Å²	52.9	3%	0.026	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	9.9	-175.5	-49.9	-65.4	0	0	0	112.6	L192 L201 L211 Q214 D218 L219 L225 L243	L192-F216 HydrophobicContact CD1-CD1 4.2Å; L192-F216 HydrophobicContact CD1-CE1 4.13Å; L201-F216 HydrophobicContact CD2-CD1 4.35Å; L201-F216 HydrophobicContact CD2-CE1 3.96Å; L211-F216 HydrophobicContact CD2-CE2 4.36Å; L211-F216 HydrophobicContact CD2-CZ 4.36Å; Q214-F216 PolarHBondContact O-N 3.02Å; Q214-F216 VanDerWaalsContact O-N 3.12Å; F216-D218 VanDerWaalsContact C-N 3.28Å; F216-D218 PolarHBondContact O-N 2.85Å; F216-L219 HydrophobicContact CB-CD1 4.25Å; F216-L219 HydrophobicContact CD1-CD1 3.87Å; F216-L219 PolarHBondContact O-N 2.96Å; F216-L225 HydrophobicContact CD1-CD2 4.36Å; F216-L225 HydrophobicContact CD2-CD2 3.94Å; F216-L225 HydrophobicContact CE1-CD1 4.05Å; F216-L225 HydrophobicContact CE1-CD2 4.17Å; F216-L225 HydrophobicContact CE2-CD2 3.73Å; F216-L225 HydrophobicContact CG-CD2 4.25Å; F216-L225 HydrophobicContact CZ-CD1 4.15Å; F216-L225 HydrophobicContact CZ-CD2 3.85Å; F216-L243 HydrophobicContact CD2-CD2 4.06Å; F216-L243 HydrophobicContact CE2-CD2 4.18Å
217	Q	86.4	Confident	92.9	Very high	126 Å²	126	52.6 Å²	52.6	59%	0.589	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-32.6	-172.3	-175.6	175.4	-7.3	0	0	112.8	Q214 L219	Q214-Q217 WeakPolarHBondContact O-CB 3.21Å; Q214-Q217 PolarHBondContact O-N 2.77Å; Q217-L219 VanDerWaalsContact C-N 3.33Å
218	D	86.6	Confident	92.9	Very high	73 Å²	73	52.9 Å²	52.9	39%	0.39	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-3	-177.9	-53.7	-46.4	0	0	0	113.5	G193 H196 F216 E220	G193-D218 VanDerWaalsContact O-CB 3.29Å; G193-D218 WeakPolarHBondContact O-CB 3.17Å; H196-D218 PolarHBondContact ND1-O 2.93Å; H196-D218 VanDerWaalsContact ND1-O 3.09Å; F216-D218 VanDerWaalsContact C-N 3.28Å; F216-D218 PolarHBondContact O-N 2.85Å; D218-E220 VanDerWaalsContact C-N 3.33Å; D218-E220 PolarHBondContact O-N 2.95Å; D218-E220 VanDerWaalsContact O-N 3.16Å
219	L	91.8	Very high	93	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.037	28%	0.275	C	S	.	.			trans	-90.3	63.7	-177.4	-55.9	-177.1	0	0	0	111.3	L192 L195 L198 L201 F216 Q217 Q221 L222	L192-L219 HydrophobicContact CB-CD1 4.4Å; L192-L219 HydrophobicContact CB-CD2 4.14Å; L192-L219 HydrophobicContact CD1-CD1 4.16Å; L192-L219 WeakPolarHBondContact O-CD2 3.11Å; L195-L219 HydrophobicContact CB-CD2 4.03Å; L195-L219 WeakPolarHBondContact O-CD2 3.32Å; L198-L219 HydrophobicContact CB-CD2 4.37Å; L198-L219 HydrophobicContact CD2-CD1 4.28Å; L198-L219 HydrophobicContact CD2-CD2 4.34Å; L201-L219 HydrophobicContact CD2-CD1 4.41Å; F216-L219 HydrophobicContact CB-CD1 4.25Å; F216-L219 HydrophobicContact CD1-CD1 3.87Å; F216-L219 PolarHBondContact O-N 2.96Å; Q217-L219 VanDerWaalsContact C-N 3.33Å; L219-Q221 PolarHBondContact O-N 2.91Å; L219-Q221 VanDerWaalsContact O-N 3.09Å; L219-L222 HydrophobicContact CB-CB 3.99Å; L219-L222 HydrophobicContact CB-CD2 4.38Å; L219-L222 HydrophobicContact CD1-CD1 4.42Å; L219-L222 HydrophobicContact CD1-CD2 4.06Å; L219-L222 VanDerWaalsContact O-CB 3.3Å; L219-L222 WeakPolarHBondContact O-CB 3.27Å; L219-L222 PolarHBondContact O-N 3.02Å; L219-L222 VanDerWaalsContact O-N 3.08Å
220	E	90.5	Very high	93.2	Very high	153 Å²	153	54.4 Å²	54.4	72%	0.715	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.2	-171.8	-60.2	-177.6	177.4	0	0	114.7	D218	D218-E220 VanDerWaalsContact C-N 3.33Å; D218-E220 PolarHBondContact O-N 2.95Å; D218-E220 VanDerWaalsContact O-N 3.16Å
221	Q	95.1	Very high	93.5	Very high	106 Å²	106	52.2 Å²	52.2	50%	0.495	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	4.9	-178.2	-60.6	-59	-50.7	0	0	113.4	H196 L198 W199 L219 K223	H196-Q221 VanDerWaalsContact O-CG 3.24Å; H196-Q221 WeakPolarHBondContact O-CG 3.33Å; L198-Q221 CarbonylContact O-C 3.2Å; L198-Q221 VanDerWaalsContact O-C 3.27Å; W199-Q221 WeakPolarHBondContact CA-O 3.4Å; W199-Q221 VanDerWaalsContact CB-O 3.31Å; W199-Q221 WeakPolarHBondContact CB-O 3.33Å; L219-Q221 PolarHBondContact O-N 2.91Å; L219-Q221 VanDerWaalsContact O-N 3.09Å; Q221-K223 PolarHBondContact O-N 3.47Å
222	L	97.2	Very high	93.7	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.031	24%	0.242	C	C	.	.			trans	-64.6	126	-173.5	-162.8	68	0	0	0	111.4	L198 L201 L219 L225 I246 A248	L198-L222 HydrophobicContact CD2-CD1 4.44Å; L198-L222 HydrophobicContact CG-CD1 4.5Å; L198-L222 WeakPolarHBondContact O-CA 3.34Å; L198-L222 PolarHBondContact O-N 3.19Å; L201-L222 HydrophobicContact CB-CD1 4Å; L219-L222 HydrophobicContact CB-CB 3.99Å; L219-L222 HydrophobicContact CB-CD2 4.38Å; L219-L222 HydrophobicContact CD1-CD1 4.42Å; L219-L222 HydrophobicContact CD1-CD2 4.06Å; L219-L222 VanDerWaalsContact O-CB 3.3Å; L219-L222 WeakPolarHBondContact O-CB 3.27Å; L219-L222 PolarHBondContact O-N 3.02Å; L219-L222 VanDerWaalsContact O-N 3.08Å; L222-L225 HydrophobicContact CD2-CB 4.12Å; L222-I246 HydrophobicContact CD2-CD1 4.25Å; L222-A248 HydrophobicContact CB-CB 4.34Å; L222-A248 HydrophobicContact CD2-CB 4.23Å; L222-A248 HydrophobicContact CG-CB 4.05Å; L222-A248 WeakPolarHBondContact O-CB 3.34Å
223	K	97.6	Very high	94	Very high	119 Å²	119	51.9 Å²	51.9	52%	0.517	25%	0.247	S	C	.	.			trans	-116.6	-26.8	177.7	-64.3	-176.2	-170.4	166.8	0	112.7	W199 Q221 D249	W199-K223 HydrophobicContact CB-CG 4.41Å; W199-K223 HydrophobicContact CE3-CD 4.12Å; W199-K223 WeakPolarHBondContact O-CA 3.44Å; W199-K223 PolarHBondContact O-N 2.97Å; Q221-K223 PolarHBondContact O-N 3.47Å; K223-D249 PolarHBondContact O-N 2.82Å
224	V	98.4	Very high	94.3	Very high	26 Å²	26	54.1 Å²	54.1	16%	0.158	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.8	-180	-177.1	0	0	0	0	109.6	W199 E200 L201	W199-V224 PolarHBondContact O-N 2.98Å; E200-V224 HydrophobicContact CB-CB 4.42Å; E200-V224 HydrophobicContact CG-CB 4.13Å; E200-V224 HydrophobicContact CG-CG2 4.2Å; L201-V224 PolarHBondContact N-O 2.95Å
225	L	97.9	Very high	94.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	106.1	171.1	175.8	57	0	0	0	109.3	L201 L203 F216 L222 L227 L243 I246 D249 V250 K251	L201-L225 HydrophobicContact CB-CD1 4.21Å; L201-L225 HydrophobicContact CD2-CD1 3.93Å; L201-L225 HydrophobicContact CG-CD1 4.05Å; L201-L225 WeakPolarHBondContact O-CA 3.15Å; L203-L225 HydrophobicContact CD1-CD1 4.27Å; F216-L225 HydrophobicContact CD1-CD2 4.36Å; F216-L225 HydrophobicContact CD2-CD2 3.94Å; F216-L225 HydrophobicContact CE1-CD1 4.05Å; F216-L225 HydrophobicContact CE1-CD2 4.17Å; F216-L225 HydrophobicContact CE2-CD2 3.73Å; F216-L225 HydrophobicContact CG-CD2 4.25Å; F216-L225 HydrophobicContact CZ-CD1 4.15Å; F216-L225 HydrophobicContact CZ-CD2 3.85Å; L222-L225 HydrophobicContact CD2-CB 4.12Å; L225-L227 HydrophobicContact CD1-CD1 4.27Å; L225-L227 HydrophobicContact CD1-CD2 4.5Å; L225-L227 HydrophobicContact CD1-CG 4.05Å; L225-L227 HydrophobicContact CD2-CD1 3.85Å; L225-L227 HydrophobicContact CG-CD1 3.89Å; L225-L227 HydrophobicContact CG-CG 4.03Å; L225-L243 HydrophobicContact CD2-CD2 4.06Å; L225-I246 HydrophobicContact CD2-CD1 4.22Å; L225-D249 PolarHBondContact N-O 3.02Å; L225-V250 HydrophobicContact CB-CG2 4.26Å; L225-V250 HydrophobicContact CD2-CG1 4.15Å; L225-V250 HydrophobicContact CD2-CG2 4.27Å; L225-V250 HydrophobicContact CG-CG1 4.33Å; L225-V250 CarbonylContact O-C 3.54Å; L225-V250 WeakPolarHBondContact O-CA 3.25Å; L225-K251 PolarHBondContact O-N 3.16Å
226	D	98.6	Very high	94.9	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.011	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	106.7	179.7	-158.5	-24.6	0	0	0	111.6	L201 L203 Q204 R228 K251	L201-D226 PolarHBondContact O-N 2.93Å; L203-D226 CarbonylContact C-O 3.59Å; L203-D226 VanDerWaalsContact C-O 3.31Å; L203-D226 VanDerWaalsContact CA-O 3.29Å; L203-D226 WeakPolarHBondContact CA-O 3.12Å; L203-D226 WeakPolarHBondContact CB-O 3.4Å; L203-D226 PolarHBondContact N-O 2.75Å; Q204-D226 PolarHBondContact N-O 3.12Å; Q204-D226 VanDerWaalsContact N-O 3.17Å; D226-R228 WeakPolarHBondContact OD1-CB 3.48Å; D226-R228 VanDerWaalsContact OD1-CG 3.23Å; D226-R228 WeakPolarHBondContact OD1-CG 3.37Å; D226-R228 IonicContact OD1-CZ 2.69Å; D226-R228 PolarHBondContact OD1-N 2.88Å; D226-R228 VanDerWaalsContact OD1-N 3.13Å; D226-R228 IonicContact OD1-NE 3.94Å; D226-R228 PolarHBondContact OD1-NE 3.3Å; D226-R228 IonicContact OD1-NH2 2.68Å; D226-R228 IonicContact OD2-CZ 3.59Å; D226-R228 VanDerWaalsContact OD2-CZ 3.22Å; D226-R228 IonicContact OD2-NE 3.55Å; D226-R228 PolarHBondContact OD2-NE 3.22Å; D226-R228 IonicContact OD2-NH2 3.42Å; D226-R228 PolarHBondContact OD2-NH2 3.01Å; D226-K251 HydrophobicContact CB-CD 4.46Å; D226-K251 IonicContact OD2-NZ 3.91Å
227	L	98.2	Very high	95	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.282	C	S	.	.			trans	-112.4	16.8	179.1	-71.9	164.3	0	0	0	111.8	L203 I208 L211 L225 N230 V250 K251 L252 N255	L203-L227 HydrophobicContact CB-CD2 4.03Å; L203-L227 HydrophobicContact CD1-CD2 3.92Å; I208-L227 HydrophobicContact CD1-CD2 4.03Å; L211-L227 HydrophobicContact CD1-CD1 3.74Å; L211-L227 HydrophobicContact CD2-CD1 4.16Å; L211-L227 HydrophobicContact CD2-CD2 4.18Å; L225-L227 HydrophobicContact CD1-CD1 4.27Å; L225-L227 HydrophobicContact CD1-CD2 4.5Å; L225-L227 HydrophobicContact CD1-CG 4.05Å; L225-L227 HydrophobicContact CD2-CD1 3.85Å; L225-L227 HydrophobicContact CG-CD1 3.89Å; L225-L227 HydrophobicContact CG-CG 4.03Å; L227-N230 PolarHBondContact O-ND2 3.33Å; L227-N230 VanDerWaalsContact O-ND2 3.1Å; L227-V250 HydrophobicContact CD1-CG1 4.43Å; L227-K251 CarbonylContact C-O 3.38Å; L227-K251 WeakPolarHBondContact CA-O 3.47Å; L227-K251 WeakPolarHBondContact CB-O 3.35Å; L227-K251 PolarHBondContact N-O 3.11Å; L227-L252 HydrophobicContact CB-CD2 4.12Å; L227-L252 HydrophobicContact CD1-CD2 4.08Å; L227-N255 PolarHBondContact O-ND2 3.41Å
228	R	98.6	Very high	95.2	Very high	92 Å²	92	57.8 Å²	57.8	35%	0.347	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	151.6	-177.5	-68.5	178.4	-68.2	162.3	2.9	112.1	Q204 H205 D226 N230 K251 G253	Q204-R228 CarbonylContact C-O 3.17Å; Q204-R228 WeakPolarHBondContact CA-O 3.4Å; Q204-R228 HydrophobicContact CB-CB 4.17Å; Q204-R228 VanDerWaalsContact CB-O 3.31Å; Q204-R228 WeakPolarHBondContact CB-O 3.3Å; H205-R228 PolarHBondContact N-O 2.91Å; D226-R228 WeakPolarHBondContact OD1-CB 3.48Å; D226-R228 VanDerWaalsContact OD1-CG 3.23Å; D226-R228 WeakPolarHBondContact OD1-CG 3.37Å; D226-R228 IonicContact OD1-CZ 2.69Å; D226-R228 PolarHBondContact OD1-N 2.88Å; D226-R228 VanDerWaalsContact OD1-N 3.13Å; D226-R228 IonicContact OD1-NE 3.94Å; D226-R228 PolarHBondContact OD1-NE 3.3Å; D226-R228 IonicContact OD1-NH2 2.68Å; D226-R228 IonicContact OD2-CZ 3.59Å; D226-R228 VanDerWaalsContact OD2-CZ 3.22Å; D226-R228 IonicContact OD2-NE 3.55Å; D226-R228 PolarHBondContact OD2-NE 3.22Å; D226-R228 IonicContact OD2-NH2 3.42Å; D226-R228 PolarHBondContact OD2-NH2 3.01Å; R228-N230 PolarHBondContact O-N 3.4Å; R228-N230 PolarHBondContact O-ND2 3.24Å; R228-K251 HydrophobicContact CG-CB 3.74Å; R228-K251 PolarHBondContact N-O 3.1Å; R228-G253 CarbonylContact C-O 3.49Å; R228-G253 WeakPolarHBondContact CA-O 3.17Å; R228-G253 VanDerWaalsContact CB-O 3.31Å; R228-G253 WeakPolarHBondContact CB-O 3.38Å
229	F	98.4	Very high	95.5	Very high	98 Å²	98	54.7 Å²	54.7	43%	0.43	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	42.2	175.8	-51.5	-73.9	0	0	0	113.4	H205 G253 G254	H205-F229 VanDerWaalsContact CA-O 3.31Å; H205-F229 WeakPolarHBondContact CA-O 3.48Å; H205-F229 AromaticContact CD2-CD2 3.95Å; H205-F229 AromaticContact CE1-CD2 3.44Å; H205-F229 VanDerWaalsContact CE1-CD2 3.44Å; H205-F229 WeakPolarHBondContact CE1-CD2 3.31Å; H205-F229 AromaticContact CE1-CG 3.49Å; H205-F229 VanDerWaalsContact CE1-CG 3.49Å; H205-F229 WeakPolarHBondContact CE1-CG 3.46Å; H205-F229 PolarHBondContact N-O 3.08Å; H205-F229 AromaticContact ND1-CG 3.93Å; H205-F229 AromaticContact NE2-CD2 3.27Å; H205-F229 VanDerWaalsContact NE2-CD2 3.27Å; H205-F229 WeakPolarHBondContact NE2-CD2 3.45Å; H205-F229 AromaticContact NE2-CE2 3.83Å; H205-F229 AromaticContact NE2-CG 3.82Å; F229-G253 PolarHBondContact N-O 3.09Å; F229-G254 WeakPolarHBondContact CA-O 3.32Å
230	N	98.6	Very high	95.6	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.016	26%	0.262	C	S	.	.	S	Bend	trans	-100.8	-165.4	166.6	-86.5	-78.9	0	0	0	109.7	L203 N206 L207 I208 L227 R228 N255	L203-N230 PolarHBondContact O-ND2 3.09Å; N206-N230 WeakPolarHBondContact CA-OD1 3.31Å; N206-N230 WeakPolarHBondContact CB-OD1 3.44Å; N206-N230 PolarHBondContact O-OD1 3.26Å; L207-N230 PolarHBondContact N-OD1 2.72Å; I208-N230 HydrophobicContact CB-CB 4.19Å; I208-N230 VanDerWaalsContact CB-OD1 3.3Å; I208-N230 WeakPolarHBondContact CB-OD1 3.43Å; I208-N230 WeakPolarHBondContact CG1-OD1 3.34Å; I208-N230 PolarHBondContact N-OD1 2.88Å; L227-N230 PolarHBondContact O-ND2 3.33Å; L227-N230 VanDerWaalsContact O-ND2 3.1Å; R228-N230 PolarHBondContact O-N 3.4Å; R228-N230 PolarHBondContact O-ND2 3.24Å; N230-N255 VanDerWaalsContact CA-OD1 3.26Å; N230-N255 WeakPolarHBondContact CA-OD1 3.3Å; N230-N255 WeakPolarHBondContact CB-OD1 3.11Å; N230-N255 PolarHBondContact N-OD1 3.33Å; N230-N255 PolarHBondContact O-OD1 3.2Å
231	M	97.8	Very high	95.7	Very high	61 Å²	61	49.8 Å²	49.8	30%	0.3	24%	0.242	S	C	.	.			trans	-113.8	26.9	-175.3	-60.5	-66.7	-69.7	0	0	111.8	L207 I208 T209 T233 N255 R256	L207-M231 HydrophobicContact CD2-CG 4.4Å; I208-M231 CarbonylContact O-C 3.42Å; I208-M231 VanDerWaalsContact O-CA 3.29Å; I208-M231 WeakPolarHBondContact O-CA 3.01Å; I208-M231 PolarHBondContact O-N 3.06Å; T209-M231 HydrophobicContact CG2-CB 4.01Å; M231-T233 PolarHBondContact O-N 2.04Å; M231-N255 PolarHBondContact N-OD1 3.02Å; M231-R256 PolarHBondContact SD-NE 2.96Å
232	L	97.1	Very high	95.6	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	23%	0.228	C	C	.	.			trans	-66.3	130.5	177.8	-58.3	173.1	0	0	0	109.7	I208 L211 L252 N255 R256 W257	I208-L232 HydrophobicContact CG2-CD2 4.09Å; I208-L232 PolarHBondContact O-N 3.38Å; L211-L232 HydrophobicContact CD1-CD1 3.98Å; L211-L232 HydrophobicContact CD1-CD2 4.46Å; L211-L232 HydrophobicContact CD2-CD2 4.39Å; L211-L232 HydrophobicContact CG-CD1 4.28Å; L211-L232 HydrophobicContact CG-CD2 3.9Å; L232-L252 HydrophobicContact CD1-CD2 4.05Å; L232-N255 HydrophobicContact CB-CB 4.01Å; L232-N255 WeakPolarHBondContact CB-OD1 3.46Å; L232-N255 WeakPolarHBondContact CG-OD1 3.24Å; L232-N255 PolarHBondContact N-OD1 3.02Å; L232-N255 VanDerWaalsContact N-OD1 3.09Å; L232-R256 CarbonylContact O-C 3.19Å; L232-R256 WeakPolarHBondContact O-CA 3.12Å; L232-R256 PolarHBondContact O-N 2.72Å; L232-W257 HydrophobicContact CB-CH2 3.65Å; L232-W257 HydrophobicContact CB-CZ2 4.11Å; L232-W257 HydrophobicContact CB-CZ3 3.89Å; L232-W257 HydrophobicContact CD1-CH2 3.83Å; L232-W257 HydrophobicContact CD1-CZ2 4.15Å; L232-W257 HydrophobicContact CG-CH2 4.38Å; L232-W257 PolarHBondContact O-N 3.05Å
233	T	96.1	Very high	95.4	Very high	63 Å²	63	46.1 Å²	46.1	39%	0.387	23%	0.227	S	C	.	.			trans	-111.2	-29.5	-179.3	56.3	0	0	0	0	113	M231 R256 W257 H258	M231-T233 PolarHBondContact O-N 2.04Å; T233-R256 WeakPolarHBondContact CA-O 3.19Å; T233-R256 HydrophobicContact CG2-CB 4.45Å; T233-W257 CarbonylContact O-C 3.28Å; T233-W257 WeakPolarHBondContact O-CA 2.98Å; T233-H258 PolarHBondContact O-N 3.45Å
234	T	93.9	Very high	95.2	Very high	65 Å²	65	42.4 Å²	42.4	40%	0.399	21%	0.21	S	C	.	.			trans	-145.8	161.3	-179.5	-170.2	0	0	0	0	110.2
235	M	92.9	Very high	94.9	Very high	6 Å²	6	46.5 Å²	46.5	3%	0.03	23%	0.231	C	C	.	.			trans	-130.6	124.7	174.6	-176.5	-179	-64.9	0	0	109.1	T239 Y240 L243 L252 W257 I266	M235-T239 HydrophobicContact CG-CG2 4.18Å; M235-Y240 HydrophobicContact SD-CD2 3.84Å; M235-Y240 HydrophobicContact SD-CG 4.29Å; M235-L243 HydrophobicContact CE-CD1 3.85Å; M235-L243 HydrophobicContact SD-CD1 4.38Å; M235-L252 HydrophobicContact CE-CD1 3.52Å; M235-L252 HydrophobicContact CE-CD2 4.44Å; M235-W257 HydrophobicContact CB-CZ3 4.07Å; M235-W257 HydrophobicContact CE-CH2 3.86Å; M235-W257 HydrophobicContact CE-CZ3 4.48Å; M235-I266 HydrophobicContact CB-CD1 4.01Å; M235-I266 WeakPolarHBondContact O-CG2 3.37Å
236	Q	91	Very high	94.5	Very high	130 Å²	130	48.3 Å²	48.3	61%	0.607	24%	0.24	S	C	*	.			trans	-76.4	154.9	174.8	-64.4	-178.2	-14.4	0	0	110.6	L238 T239 Y240	Q236-L238 VanDerWaalsContact C-N 3.26Å; Q236-L238 PolarHBondContact O-N 3.15Å; Q236-T239 WeakPolarHBondContact O-CB 3.36Å; Q236-T239 PolarHBondContact O-N 3.1Å; Q236-T239 VanDerWaalsContact O-N 3.15Å; Q236-Y240 PolarHBondContact O-N 2.83Å
237	Q	91.6	Very high	94.1	Very high	96 Å²	96	51.5 Å²	51.5	45%	0.449	27%	0.274	S	S	.	.	H	α-helix	trans	-56.7	-39.8	-179.8	-175.1	175	15.2	0	0	112.8	Y240 L241	Q237-Y240 WeakPolarHBondContact O-CB 3.32Å; Q237-Y240 PolarHBondContact O-N 3.37Å; Q237-L241 HydrophobicContact CG-CD1 4.15Å; Q237-L241 WeakPolarHBondContact O-CD1 3.35Å; Q237-L241 WeakPolarHBondContact O-CG 3.46Å; Q237-L241 PolarHBondContact O-N 3.27Å
238	L	91.9	Very high	93.9	Very high	106 Å²	106	52.3 Å²	52.3	56%	0.555	28%	0.28	S	S	*	.	H	α-helix	trans	-68.1	-42.8	178.9	-169.7	61	0	0	0	111.5	P213 Q236 Y240 L241 T242	P213-L238 HydrophobicContact CB-CB 4.21Å; P213-L238 HydrophobicContact CB-CD2 3.83Å; P213-L238 HydrophobicContact CB-CG 3.65Å; P213-L238 HydrophobicContact CG-CB 4.06Å; P213-L238 HydrophobicContact CG-CD2 3.92Å; P213-L238 HydrophobicContact CG-CG 3.96Å; Q236-L238 VanDerWaalsContact C-N 3.26Å; Q236-L238 PolarHBondContact O-N 3.15Å; L238-Y240 VanDerWaalsContact C-N 3.29Å; L238-Y240 PolarHBondContact O-N 3.45Å; L238-L241 WeakPolarHBondContact O-CB 3.5Å; L238-L241 PolarHBondContact O-N 2.82Å; L238-T242 PolarHBondContact O-N 3.03Å; L238-T242 PolarHBondContact O-OG1 2.02Å
239	T	92.4	Very high	93.8	Very high	8 Å²	8	50.2 Å²	50.2	5%	0.049	28%	0.276	C	S	.	.	H	α-helix	trans	-58.3	-43	173.2	-47.9	0	0	0	0	111.3	L211 M235 Q236 T242 L243	L211-T239 HydrophobicContact CB-CG2 3.86Å; L211-T239 HydrophobicContact CD1-CG2 4.36Å; M235-T239 HydrophobicContact CG-CG2 4.18Å; Q236-T239 WeakPolarHBondContact O-CB 3.36Å; Q236-T239 PolarHBondContact O-N 3.1Å; Q236-T239 VanDerWaalsContact O-N 3.15Å; T239-T242 PolarHBondContact O-N 3.39Å; T239-L243 HydrophobicContact CG2-CD1 4.08Å; T239-L243 HydrophobicContact CG2-CG 4.38Å; T239-L243 WeakPolarHBondContact O-CB 3.41Å; T239-L243 VanDerWaalsContact O-CG 3.31Å; T239-L243 WeakPolarHBondContact O-CG 3.5Å; T239-L243 PolarHBondContact O-N 2.94Å
240	Y	93.9	Very high	93.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.2	-47.9	176.4	177	-88.6	0	0	0	112.1	M235 Q236 Q237 L238 L243 R244 Q269 M270 D273 W281	M235-Y240 HydrophobicContact SD-CD2 3.84Å; M235-Y240 HydrophobicContact SD-CG 4.29Å; Q236-Y240 PolarHBondContact O-N 2.83Å; Q237-Y240 WeakPolarHBondContact O-CB 3.32Å; Q237-Y240 PolarHBondContact O-N 3.37Å; L238-Y240 VanDerWaalsContact C-N 3.29Å; L238-Y240 PolarHBondContact O-N 3.45Å; Y240-L243 PolarHBondContact O-N 2.7Å; Y240-R244 VanDerWaalsContact CD1-NH2 3.29Å; Y240-R244 VanDerWaalsContact O-CB 3.29Å; Y240-R244 WeakPolarHBondContact O-CB 3.36Å; Y240-R244 PolarHBondContact O-N 3.41Å; Y240-Q269 HydrophobicContact CD1-CB 4.22Å; Y240-Q269 HydrophobicContact CD1-CG 3.63Å; Y240-Q269 HydrophobicContact CE1-CB 3.92Å; Y240-Q269 HydrophobicContact CE1-CG 3.21Å; Y240-M270 HydrophobicContact CD2-CG 4.15Å; Y240-M270 HydrophobicContact CE2-CB 4.45Å; Y240-M270 HydrophobicContact CE2-CG 3.18Å; Y240-M270 HydrophobicContact CE2-SD 4.05Å; Y240-M270 WeakPolarHBondContact OH-CA 3.45Å; Y240-M270 WeakPolarHBondContact OH-CG 3.41Å; Y240-D273 VanDerWaalsContact CE1-OD2 3.22Å; Y240-D273 WeakPolarHBondContact CE1-OD2 3.48Å; Y240-D273 VanDerWaalsContact CZ-OD2 3.31Å; Y240-D273 PolarHBondContact OH-OD2 3.06Å; Y240-W281 HydrophobicContact CD2-CE3 4.17Å; Y240-W281 AromaticContact CD2-CZ3 3.72Å; Y240-W281 HydrophobicContact CD2-CZ3 3.72Å; Y240-W281 AromaticContact CE2-CE3 3.64Å; Y240-W281 HydrophobicContact CE2-CE3 3.64Å; Y240-W281 AromaticContact CE2-CZ3 3.3Å; Y240-W281 HydrophobicContact CE2-CZ3 3.3Å; Y240-W281 AromaticContact CZ-CZ3 3.87Å
241	L	92.8	Very high	93.7	Very high	56 Å²	56	48.7 Å²	48.7	29%	0.293	27%	0.269	S	S	.	.	H	α-helix	trans	-56.7	-52	175.6	-77.5	157	0	0	0	111	Q237 L238 L243 R244 D245	Q237-L241 HydrophobicContact CG-CD1 4.15Å; Q237-L241 WeakPolarHBondContact O-CD1 3.35Å; Q237-L241 WeakPolarHBondContact O-CG 3.46Å; Q237-L241 PolarHBondContact O-N 3.27Å; L238-L241 WeakPolarHBondContact O-CB 3.5Å; L238-L241 PolarHBondContact O-N 2.82Å; L241-L243 PolarHBondContact O-N 3.33Å; L241-R244 WeakPolarHBondContact O-CB 3.11Å; L241-R244 PolarHBondContact O-N 3.12Å; L241-D245 WeakPolarHBondContact O-CB 3.49Å; L241-D245 VanDerWaalsContact O-CG 3.25Å; L241-D245 PolarHBondContact O-N 3.24Å
242	T	92.4	Very high	93.7	Very high	32 Å²	32	46 Å²	46	20%	0.196	26%	0.256	C	S	.	.	H	α-helix	trans	-54.4	-57.3	177.2	-58.4	0	0	0	0	110.7	P213 L238 T239 R244 D245 I246	P213-T242 WeakPolarHBondContact O-CB 3.44Å; P213-T242 WeakPolarHBondContact O-CG2 3.44Å; P213-T242 PolarHBondContact O-OG1 3.25Å; L238-T242 PolarHBondContact O-N 3.03Å; L238-T242 PolarHBondContact O-OG1 2.02Å; T239-T242 PolarHBondContact O-N 3.39Å; T242-R244 PolarHBondContact O-N 3.03Å; T242-R244 VanDerWaalsContact O-N 3.14Å; T242-D245 PolarHBondContact O-N 3.16Å; T242-I246 HydrophobicContact CG2-CG2 3.73Å; T242-I246 WeakPolarHBondContact O-CG2 3.21Å; T242-I246 PolarHBondContact O-N 3.21Å
243	L	93.6	Very high	93.7	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.016	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-27.1	-175.2	-68.8	178.3	0	0	0	113.6	L211 F216 L225 M235 T239 Y240 L241 I246 V250 W281	L211-L243 HydrophobicContact CD1-CD1 4.05Å; F216-L243 HydrophobicContact CD2-CD2 4.06Å; F216-L243 HydrophobicContact CE2-CD2 4.18Å; L225-L243 HydrophobicContact CD2-CD2 4.06Å; M235-L243 HydrophobicContact CE-CD1 3.85Å; M235-L243 HydrophobicContact SD-CD1 4.38Å; T239-L243 HydrophobicContact CG2-CD1 4.08Å; T239-L243 HydrophobicContact CG2-CG 4.38Å; T239-L243 WeakPolarHBondContact O-CB 3.41Å; T239-L243 VanDerWaalsContact O-CG 3.31Å; T239-L243 WeakPolarHBondContact O-CG 3.5Å; T239-L243 PolarHBondContact O-N 2.94Å; Y240-L243 PolarHBondContact O-N 2.7Å; L241-L243 PolarHBondContact O-N 3.33Å; L243-I246 HydrophobicContact CD2-CD1 4.25Å; L243-V250 HydrophobicContact CD1-CG1 4.49Å; L243-V250 HydrophobicContact CD2-CG1 4.27Å; L243-V250 HydrophobicContact CD2-CG2 4.38Å; L243-W281 HydrophobicContact CB-CH2 3.92Å; L243-W281 HydrophobicContact CB-CZ2 4.03Å
244	R	92.6	Very high	93.7	Very high	41 Å²	41	46.5 Å²	46.5	16%	0.155	28%	0.275	C	S	.	.	H	α-helix	trans	-75.7	-38.4	176.8	-174.7	-133.9	-31	-118.7	-19.5	111	Y240 L241 T242 D273 M278 W281	Y240-R244 VanDerWaalsContact CD1-NH2 3.29Å; Y240-R244 VanDerWaalsContact O-CB 3.29Å; Y240-R244 WeakPolarHBondContact O-CB 3.36Å; Y240-R244 PolarHBondContact O-N 3.41Å; L241-R244 WeakPolarHBondContact O-CB 3.11Å; L241-R244 PolarHBondContact O-N 3.12Å; T242-R244 PolarHBondContact O-N 3.03Å; T242-R244 VanDerWaalsContact O-N 3.14Å; R244-D273 IonicContact CZ-OD1 3.43Å; R244-D273 IonicContact CZ-OD2 2.69Å; R244-D273 VanDerWaalsContact CZ-OD2 3.29Å; R244-D273 IonicContact NE-OD2 2.79Å; R244-D273 IonicContact NH1-OD1 3.22Å; R244-D273 PolarHBondContact NH1-OD1 3.02Å; R244-D273 IonicContact NH1-OD2 3.98Å; R244-D273 PolarHBondContact NH1-OD2 3.46Å; R244-D273 IonicContact NH2-OD2 3.86Å; R244-M278 HydrophobicContact CG-CE 4.35Å; R244-W281 HydrophobicContact CB-CH2 3.92Å; R244-W281 HydrophobicContact CB-CZ3 4.4Å
245	D	91.6	Very high	93.9	Very high	112 Å²	112	43.9 Å²	43.9	60%	0.599	26%	0.258	S	S	*	.	H	α-helix	trans	-91.9	-13.7	-171.9	-62.3	-21.6	0	0	0	112.8	L241 T242 G247	L241-D245 WeakPolarHBondContact O-CB 3.49Å; L241-D245 VanDerWaalsContact O-CG 3.25Å; L241-D245 PolarHBondContact O-N 3.24Å; T242-D245 PolarHBondContact O-N 3.16Å; D245-G247 PolarHBondContact O-N 3.09Å; D245-G247 VanDerWaalsContact O-N 3.1Å
246	I	91.3	Very high	94.1	Very high	38 Å²	38	49.8 Å²	49.8	20%	0.195	28%	0.28	C	S	.	.	S	Bend	trans	-65.4	-12.2	178.4	69.8	174.2	0	0	0	114	L222 L225 T242 L243 A248 V250	L222-I246 HydrophobicContact CD2-CD1 4.25Å; L225-I246 HydrophobicContact CD2-CD1 4.22Å; T242-I246 HydrophobicContact CG2-CG2 3.73Å; T242-I246 WeakPolarHBondContact O-CG2 3.21Å; T242-I246 PolarHBondContact O-N 3.21Å; L243-I246 HydrophobicContact CD2-CD1 4.25Å; I246-A248 HydrophobicContact CD1-CB 3.83Å; I246-A248 HydrophobicContact CG1-CB 3.91Å; I246-A248 PolarHBondContact O-N 3.16Å; I246-V250 HydrophobicContact CD1-CG2 3.76Å; I246-V250 HydrophobicContact CG1-CG2 4.27Å
247	G	89.6	Confident	94.4	Very high	69 Å²	69	43.7 Å²	43.7	71%	0.711	25%	0.252	S	S	*	.			trans	73.5	6.9	177.3	0	0	0	0	0	115.8	D245	D245-G247 PolarHBondContact O-N 3.09Å; D245-G247 VanDerWaalsContact O-N 3.1Å
248	A	94.5	Very high	94.7	Very high	17 Å²	17	41.8 Å²	41.8	14%	0.14	24%	0.243	C	C	.	.	S	Bend	trans	-94.6	153.5	177.5	0	0	0	0	0	112.6	L222 I246 V250	L222-A248 HydrophobicContact CB-CB 4.34Å; L222-A248 HydrophobicContact CD2-CB 4.23Å; L222-A248 HydrophobicContact CG-CB 4.05Å; L222-A248 WeakPolarHBondContact O-CB 3.34Å; I246-A248 HydrophobicContact CD1-CB 3.83Å; I246-A248 HydrophobicContact CG1-CB 3.91Å; I246-A248 PolarHBondContact O-N 3.16Å; A248-V250 HydrophobicContact CB-CG2 4.42Å; A248-V250 PolarHBondContact O-N 3.48Å; A248-V250 VanDerWaalsContact O-N 3.1Å
249	D	95.9	Very high	94.9	Very high	48 Å²	48	36.8 Å²	36.8	26%	0.257	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	95.8	163.6	-177.2	24.8	0	0	0	109.9	K223 L225 K251 R279	K223-D249 PolarHBondContact O-N 2.82Å; L225-D249 PolarHBondContact N-O 3.02Å; D249-K251 WeakPolarHBondContact OD2-CE 3.39Å; D249-R279 IonicContact OD1-CZ 3.55Å; D249-R279 VanDerWaalsContact OD1-CZ 3.28Å; D249-R279 IonicContact OD1-NE 3.29Å; D249-R279 PolarHBondContact OD1-NE 3.43Å; D249-R279 IonicContact OD1-NH2 3.22Å; D249-R279 PolarHBondContact OD1-NH2 3.11Å; D249-R279 IonicContact OD2-NH2 3.3Å
250	V	96.8	Very high	95	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.3	179	-172.8	0	0	0	0	110.5	L225 L227 L243 I246 A248 L252 W281	L225-V250 HydrophobicContact CB-CG2 4.26Å; L225-V250 HydrophobicContact CD2-CG1 4.15Å; L225-V250 HydrophobicContact CD2-CG2 4.27Å; L225-V250 HydrophobicContact CG-CG1 4.33Å; L225-V250 CarbonylContact O-C 3.54Å; L225-V250 WeakPolarHBondContact O-CA 3.25Å; L227-V250 HydrophobicContact CD1-CG1 4.43Å; L243-V250 HydrophobicContact CD1-CG1 4.49Å; L243-V250 HydrophobicContact CD2-CG1 4.27Å; L243-V250 HydrophobicContact CD2-CG2 4.38Å; I246-V250 HydrophobicContact CD1-CG2 3.76Å; I246-V250 HydrophobicContact CG1-CG2 4.27Å; A248-V250 HydrophobicContact CB-CG2 4.42Å; A248-V250 PolarHBondContact O-N 3.48Å; A248-V250 VanDerWaalsContact O-N 3.1Å; V250-L252 HydrophobicContact CG1-CD1 4.43Å; V250-L252 HydrophobicContact CG1-CD2 4.26Å; V250-L252 HydrophobicContact CG1-CG 4.05Å; V250-W281 HydrophobicContact CB-CZ2 4.07Å; V250-W281 HydrophobicContact CG2-CZ2 4.39Å; V250-W281 PolarHBondContact O-NE1 3.07Å
251	K	97.7	Very high	95	Very high	65 Å²	65	39.2 Å²	39.2	28%	0.283	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.8	179	-57	174.2	-174.1	164	0	110.9	L225 D226 L227 R228 D249	L225-K251 PolarHBondContact O-N 3.16Å; D226-K251 HydrophobicContact CB-CD 4.46Å; D226-K251 IonicContact OD2-NZ 3.91Å; L227-K251 CarbonylContact C-O 3.38Å; L227-K251 WeakPolarHBondContact CA-O 3.47Å; L227-K251 WeakPolarHBondContact CB-O 3.35Å; L227-K251 PolarHBondContact N-O 3.11Å; R228-K251 HydrophobicContact CG-CB 3.74Å; R228-K251 PolarHBondContact N-O 3.1Å; D249-K251 WeakPolarHBondContact OD2-CE 3.39Å
252	L	97.2	Very high	95.1	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	24%	0.244	C	C	.	.			trans	-119.5	2	-171.9	-70.8	170.9	0	0	0	114.7	L227 L232 M235 V250 N255 W257 W281	L227-L252 HydrophobicContact CB-CD2 4.12Å; L227-L252 HydrophobicContact CD1-CD2 4.08Å; L232-L252 HydrophobicContact CD1-CD2 4.05Å; M235-L252 HydrophobicContact CE-CD1 3.52Å; M235-L252 HydrophobicContact CE-CD2 4.44Å; V250-L252 HydrophobicContact CG1-CD1 4.43Å; V250-L252 HydrophobicContact CG1-CD2 4.26Å; V250-L252 HydrophobicContact CG1-CG 4.05Å; L252-N255 PolarHBondContact O-ND2 3.22Å; L252-W257 HydrophobicContact CB-CZ2 4.08Å; L252-W257 HydrophobicContact CD2-CZ2 4.21Å; L252-W257 PolarHBondContact O-NE1 2.84Å; L252-W281 HydrophobicContact CD1-CB 4.32Å; L252-W281 HydrophobicContact CD1-CD2 3.98Å; L252-W281 HydrophobicContact CD1-CG 3.76Å
253	G	97.1	Very high	95.2	Very high	30 Å²	30	39.9 Å²	39.9	31%	0.309	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	151.9	-176.5	0	0	0	0	0	113.9	R228 F229 N255	R228-G253 CarbonylContact C-O 3.49Å; R228-G253 WeakPolarHBondContact CA-O 3.17Å; R228-G253 VanDerWaalsContact CB-O 3.31Å; R228-G253 WeakPolarHBondContact CB-O 3.38Å; F229-G253 PolarHBondContact N-O 3.09Å; G253-N255 VanDerWaalsContact C-N 3.28Å; G253-N255 PolarHBondContact O-N 2.98Å
254	G	96.9	Very high	95.3	Very high	47 Å²	47	43.6 Å²	43.6	49%	0.485	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	12.4	176.2	0	0	0	0	0	115.4	F229	F229-G254 WeakPolarHBondContact CA-O 3.32Å
255	N	98.3	Very high	95.3	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.048	26%	0.256	C	S	.	.	S	Bend	trans	-80.7	169.1	167.8	-80.3	-77.1	0	0	0	111.3	L227 N230 M231 L232 L252 G253 W257	L227-N255 PolarHBondContact O-ND2 3.41Å; N230-N255 VanDerWaalsContact CA-OD1 3.26Å; N230-N255 WeakPolarHBondContact CA-OD1 3.3Å; N230-N255 WeakPolarHBondContact CB-OD1 3.11Å; N230-N255 PolarHBondContact N-OD1 3.33Å; N230-N255 PolarHBondContact O-OD1 3.2Å; M231-N255 PolarHBondContact N-OD1 3.02Å; L232-N255 HydrophobicContact CB-CB 4.01Å; L232-N255 WeakPolarHBondContact CB-OD1 3.46Å; L232-N255 WeakPolarHBondContact CG-OD1 3.24Å; L232-N255 PolarHBondContact N-OD1 3.02Å; L232-N255 VanDerWaalsContact N-OD1 3.09Å; L252-N255 PolarHBondContact O-ND2 3.22Å; G253-N255 VanDerWaalsContact C-N 3.28Å; G253-N255 PolarHBondContact O-N 2.98Å; N255-W257 HydrophobicContact CB-CD2 4.28Å; N255-W257 HydrophobicContact CB-CZ2 3.9Å; N255-W257 PolarHBondContact O-N 2.77Å
256	R	97.1	Very high	95.5	Very high	130 Å²	130	38.5 Å²	38.5	49%	0.491	23%	0.228	S	C	.	.			trans	-96.4	54.5	-176.2	-63.9	-170.1	-169.3	-111.7	2.5	112.4	M231 L232 T233 H258	M231-R256 PolarHBondContact SD-NE 2.96Å; L232-R256 CarbonylContact O-C 3.19Å; L232-R256 WeakPolarHBondContact O-CA 3.12Å; L232-R256 PolarHBondContact O-N 2.72Å; T233-R256 WeakPolarHBondContact CA-O 3.19Å; T233-R256 HydrophobicContact CG2-CB 4.45Å; R256-H258 PolarHBondContact O-N 3.04Å
257	W	97.4	Very high	95.7	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.011	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	121.3	-175.3	-59.2	112.8	0	0	0	112.2	L232 T233 M235 L252 N255 M263 I283 S286 E287	L232-W257 HydrophobicContact CB-CH2 3.65Å; L232-W257 HydrophobicContact CB-CZ2 4.11Å; L232-W257 HydrophobicContact CB-CZ3 3.89Å; L232-W257 HydrophobicContact CD1-CH2 3.83Å; L232-W257 HydrophobicContact CD1-CZ2 4.15Å; L232-W257 HydrophobicContact CG-CH2 4.38Å; L232-W257 PolarHBondContact O-N 3.05Å; T233-W257 CarbonylContact O-C 3.28Å; T233-W257 WeakPolarHBondContact O-CA 2.98Å; M235-W257 HydrophobicContact CB-CZ3 4.07Å; M235-W257 HydrophobicContact CE-CH2 3.86Å; M235-W257 HydrophobicContact CE-CZ3 4.48Å; L252-W257 HydrophobicContact CB-CZ2 4.08Å; L252-W257 HydrophobicContact CD2-CZ2 4.21Å; L252-W257 PolarHBondContact O-NE1 2.84Å; N255-W257 HydrophobicContact CB-CD2 4.28Å; N255-W257 HydrophobicContact CB-CZ2 3.9Å; N255-W257 PolarHBondContact O-N 2.77Å; W257-M263 HydrophobicContact CB-CE 4.46Å; W257-M263 HydrophobicContact CE3-CE 3.93Å; W257-I283 HydrophobicContact CB-CG2 3.89Å; W257-I283 HydrophobicContact CD2-CG2 3.88Å; W257-I283 HydrophobicContact CG-CG2 3.51Å; W257-S286 PolarHBondContact O-N 3Å; W257-E287 PolarHBondContact O-N 3.27Å; W257-E287 VanDerWaalsContact O-N 3.07Å
258	H	96.6	Very high	96	Very high	55 Å²	55	41.3 Å²	41.3	26%	0.255	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	99.1	174.8	-171.1	88.5	0	0	0	108.2	T233 R256 D260 M263 E287	T233-H258 PolarHBondContact O-N 3.45Å; R256-H258 PolarHBondContact O-N 3.04Å; H258-D260 IonicContact CD2-OD2 3.56Å; H258-D260 PolarHBondContact CD2-OD2 2.99Å; H258-D260 VanDerWaalsContact CD2-OD2 3.3Å; H258-D260 IonicContact NE2-OD2 3.97Å; H258-D260 PolarHBondContact O-N 2.71Å; H258-D260 VanDerWaalsContact O-N 3.14Å; H258-M263 WeakPolarHBondContact O-CG 3.03Å; H258-E287 CarbonylContact C-O 3.54Å; H258-E287 HydrophobicContact CB-CB 4.31Å; H258-E287 IonicContact CE1-OE2 3.99Å; H258-E287 IonicContact CG-OE2 3.49Å; H258-E287 WeakPolarHBondContact ND1-CB 3.46Å; H258-E287 IonicContact ND1-OE2 3.65Å; H258-E287 PolarHBondContact ND1-OE2 3.49Å
259	C	96.8	Very high	96	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.007	22%	0.217	C	C	.	.			trans	-86.7	71.8	-174.2	-68	0	0	0	0	111.6	C285 E287 I291 L296 L299 L304	C259-C285 HydrophobicContact CB-CB 3.67Å; C259-C285 WeakPolarHBondContact CB-SG 3.26Å; C259-C285 WeakPolarHBondContact SG-CA 2.91Å; C259-C285 WeakPolarHBondContact SG-CB 3.16Å; C259-C285 CovalentContact SG-SG 2.02Å; C259-C285 PolarHBondContact SG-SG 3.37Å; C259-E287 PolarHBondContact N-O 3.05Å; C259-I291 HydrophobicContact CB-CD1 3.66Å; C259-I291 VanDerWaalsContact O-CD1 3.25Å; C259-I291 WeakPolarHBondContact O-CD1 3.04Å; C259-L296 HydrophobicContact CB-CD1 4.45Å; C259-L299 HydrophobicContact CB-CD1 4.23Å; C259-L304 HydrophobicContact CB-CD2 3.93Å; C259-L304 VanDerWaalsContact O-CD2 3.26Å; C259-L304 WeakPolarHBondContact O-CD2 3.05Å
260	D	95.2	Very high	96	Very high	19 Å²	19	40.3 Å²	40.3	10%	0.102	21%	0.205	C	C	.	.	S	Bend	trans	-106.3	-164.7	175.7	68.9	0.3	0	0	0	111.4	H258 N262 M263 L304 T305	H258-D260 IonicContact CD2-OD2 3.56Å; H258-D260 PolarHBondContact CD2-OD2 2.99Å; H258-D260 VanDerWaalsContact CD2-OD2 3.3Å; H258-D260 IonicContact NE2-OD2 3.97Å; H258-D260 PolarHBondContact O-N 2.71Å; H258-D260 VanDerWaalsContact O-N 3.14Å; D260-N262 PolarHBondContact O-N 2.97Å; D260-N262 VanDerWaalsContact O-N 3.16Å; D260-N262 WeakPolarHBondContact OD1-CA 3.45Å; D260-N262 WeakPolarHBondContact OD1-CB 3.13Å; D260-N262 PolarHBondContact OD1-N 3.44Å; D260-N262 PolarHBondContact OD1-ND2 3.37Å; D260-N262 PolarHBondContact OD2-ND2 2.74Å; D260-M263 PolarHBondContact O-N 2.95Å; D260-M263 VanDerWaalsContact O-N 3.08Å; D260-L304 WeakPolarHBondContact O-CB 3.38Å; D260-T305 WeakPolarHBondContact CB-O 3.36Å
261	C	94.6	Very high	95.9	Very high	40 Å²	40	42.1 Å²	42.1	27%	0.27	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-58.7	-24.5	176.4	76.7	0	0	0	0	114.3	M263 R264 L304 C306	C261-M263 PolarHBondContact O-N 3.21Å; C261-R264 WeakPolarHBondContact O-CB 3.31Å; C261-R264 VanDerWaalsContact O-CG 3.26Å; C261-R264 WeakPolarHBondContact O-CG 3.43Å; C261-R264 PolarHBondContact O-N 2.74Å; C261-L304 VanDerWaalsContact CA-O 3.31Å; C261-L304 WeakPolarHBondContact CA-O 3.47Å; C261-L304 PolarHBondContact N-O 3.4Å; C261-C306 VanDerWaalsContact CA-SG 3.59Å; C261-C306 HydrophobicContact CB-CB 3.84Å; C261-C306 WeakPolarHBondContact CB-SG 3.49Å; C261-C306 PolarHBondContact N-SG 3.22Å; C261-C306 WeakPolarHBondContact SG-CB 3.44Å; C261-C306 CovalentContact SG-SG 2.02Å; C261-C306 PolarHBondContact SG-SG 3.21Å
262	N	93.6	Very high	95.8	Very high	102 Å²	102	44.5 Å²	44.5	55%	0.545	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-69.5	-24.1	178.8	-60.1	-58	0	0	0	111.6	D260 R264	D260-N262 PolarHBondContact O-N 2.97Å; D260-N262 VanDerWaalsContact O-N 3.16Å; D260-N262 WeakPolarHBondContact OD1-CA 3.45Å; D260-N262 WeakPolarHBondContact OD1-CB 3.13Å; D260-N262 PolarHBondContact OD1-N 3.44Å; D260-N262 PolarHBondContact OD1-ND2 3.37Å; D260-N262 PolarHBondContact OD2-ND2 2.74Å; N262-R264 VanDerWaalsContact C-N 3.31Å; N262-R264 PolarHBondContact O-N 3.4Å
263	M	95.1	Very high	95.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-83.6	-3.2	178	-62.2	-70.9	-89.4	0	0	113.4	W257 H258 D260 C261 S265 I266 R267 I283 L296	W257-M263 HydrophobicContact CB-CE 4.46Å; W257-M263 HydrophobicContact CE3-CE 3.93Å; H258-M263 WeakPolarHBondContact O-CG 3.03Å; D260-M263 PolarHBondContact O-N 2.95Å; D260-M263 VanDerWaalsContact O-N 3.08Å; C261-M263 PolarHBondContact O-N 3.21Å; M263-S265 PolarHBondContact O-N 3.37Å; M263-I266 HydrophobicContact CB-CD1 4.41Å; M263-I266 HydrophobicContact CB-CG1 4.26Å; M263-I266 HydrophobicContact CE-CD1 3.37Å; M263-I266 HydrophobicContact CE-CG1 4.45Å; M263-I266 WeakPolarHBondContact O-CG1 3.37Å; M263-I266 PolarHBondContact O-N 3.14Å; M263-I266 HydrophobicContact SD-CD1 3.38Å; M263-I266 WeakPolarHBondContact SD-CD1 3.41Å; M263-I266 HydrophobicContact SD-CG1 4.12Å; M263-R267 WeakPolarHBondContact O-CB 3.46Å; M263-R267 PolarHBondContact O-N 3.41Å; M263-I283 HydrophobicContact CE-CG2 4.19Å; M263-L296 HydrophobicContact CB-CD1 4.14Å; M263-L296 HydrophobicContact CE-CD2 4.21Å
264	R	94.8	Very high	95.6	Very high	81 Å²	81	44.7 Å²	44.7	31%	0.306	23%	0.231	S	C	.	.	H	α-helix	trans	-59.6	-44.1	-179.4	-72.4	175.8	-178.7	-156.8	-1.1	112.9	C261 N262 R267 R268 E301 L304	C261-R264 WeakPolarHBondContact O-CB 3.31Å; C261-R264 VanDerWaalsContact O-CG 3.26Å; C261-R264 WeakPolarHBondContact O-CG 3.43Å; C261-R264 PolarHBondContact O-N 2.74Å; N262-R264 VanDerWaalsContact C-N 3.31Å; N262-R264 PolarHBondContact O-N 3.4Å; R264-R267 PolarHBondContact O-N 3.06Å; R264-R268 WeakPolarHBondContact O-CG 3.22Å; R264-R268 PolarHBondContact O-N 3.25Å; R264-E301 PolarHBondContact NE-O 3.29Å; R264-E301 PolarHBondContact NH2-O 3.48Å; R264-L304 HydrophobicContact CB-CD1 4.46Å; R264-L304 HydrophobicContact CG-CB 3.79Å; R264-L304 HydrophobicContact CG-CD1 3.82Å; R264-L304 HydrophobicContact CG-CG 4.5Å; R264-L304 VanDerWaalsContact CZ-O 3.23Å; R264-L304 PolarHBondContact NE-O 3.29Å; R264-L304 PolarHBondContact NH2-O 3.47Å
265	S	93.9	Very high	95.6	Very high	46 Å²	46	48 Å²	48	32%	0.322	24%	0.242	S	C	.	.	H	α-helix	trans	-61.7	-48.3	-178.2	-175	0	0	0	0	111.1	M263 R267 R268 Q269	M263-S265 PolarHBondContact O-N 3.37Å; S265-R267 PolarHBondContact O-N 3.47Å; S265-R268 PolarHBondContact O-N 3.48Å; S265-Q269 PolarHBondContact O-N 3.14Å
266	I	94.9	Very high	95.5	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	27%	0.27	C	S	.	.	H	α-helix	trans	-68.9	-35.8	179.6	66.8	164.2	0	0	0	112.1	M235 M263 R268 Q269 M270 I283 L296	M235-I266 HydrophobicContact CB-CD1 4.01Å; M235-I266 WeakPolarHBondContact O-CG2 3.37Å; M263-I266 HydrophobicContact CB-CD1 4.41Å; M263-I266 HydrophobicContact CB-CG1 4.26Å; M263-I266 HydrophobicContact CE-CD1 3.37Å; M263-I266 HydrophobicContact CE-CG1 4.45Å; M263-I266 WeakPolarHBondContact O-CG1 3.37Å; M263-I266 PolarHBondContact O-N 3.14Å; M263-I266 HydrophobicContact SD-CD1 3.38Å; M263-I266 WeakPolarHBondContact SD-CD1 3.41Å; M263-I266 HydrophobicContact SD-CG1 4.12Å; I266-R268 PolarHBondContact O-N 3.36Å; I266-Q269 PolarHBondContact O-N 2.91Å; I266-M270 WeakPolarHBondContact O-CB 3.26Å; I266-M270 VanDerWaalsContact O-CG 3.25Å; I266-M270 WeakPolarHBondContact O-CG 3.29Å; I266-M270 PolarHBondContact O-N 3.26Å; I266-I283 HydrophobicContact CD1-CD1 4.34Å; I266-L296 HydrophobicContact CD1-CD2 3.89Å; I266-L296 HydrophobicContact CG1-CD2 4.03Å
267	R	96.3	Very high	95.2	Very high	32 Å²	32	52.5 Å²	52.5	12%	0.121	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-49.3	175.3	177.9	-152.8	151.1	74.9	-7	110.4	M263 R264 S265 Q269 M270 A271 L296 L297 L299 D300 L304	M263-R267 WeakPolarHBondContact O-CB 3.46Å; M263-R267 PolarHBondContact O-N 3.41Å; R264-R267 PolarHBondContact O-N 3.06Å; S265-R267 PolarHBondContact O-N 3.47Å; R267-Q269 VanDerWaalsContact C-N 3.3Å; R267-Q269 PolarHBondContact O-N 2.88Å; R267-M270 PolarHBondContact O-N 2.05Å; R267-A271 WeakPolarHBondContact O-CB 3.1Å; R267-A271 PolarHBondContact O-N 3.49Å; R267-L296 HydrophobicContact CB-CD1 4.18Å; R267-L296 HydrophobicContact CB-CD2 4.25Å; R267-L296 HydrophobicContact CB-CG 4.05Å; R267-L296 HydrophobicContact CG-CD1 4.44Å; R267-L296 HydrophobicContact CG-CG 4.26Å; R267-L296 PolarHBondContact NH1-O 3.39Å; R267-L297 PolarHBondContact NH1-O 3.45Å; R267-L299 VanDerWaalsContact NH1-C 3.3Å; R267-L299 PolarHBondContact NH1-O 3.17Å; R267-L299 PolarHBondContact NH2-O 2.94Å; R267-D300 IonicContact NH2-OD1 2.89Å; R267-L304 HydrophobicContact CB-CD1 4.22Å; R267-L304 HydrophobicContact CG-CD1 4.43Å
268	R	95.3	Very high	95	Very high	134 Å²	134	56.1 Å²	56.1	51%	0.506	30%	0.299	S	S	.	.	H	α-helix	trans	-58.3	-44.8	176.9	-71.3	173	-176.6	167.3	1	111.1	R264 S265 I266 A271 Y272 E301	R264-R268 WeakPolarHBondContact O-CG 3.22Å; R264-R268 PolarHBondContact O-N 3.25Å; S265-R268 PolarHBondContact O-N 3.48Å; I266-R268 PolarHBondContact O-N 3.36Å; R268-A271 PolarHBondContact O-N 3.03Å; R268-Y272 WeakPolarHBondContact O-CB 3.46Å; R268-Y272 PolarHBondContact O-N 2.96Å; R268-E301 WeakPolarHBondContact CG-OE1 3.45Å; R268-E301 IonicContact CZ-OE1 3.59Å; R268-E301 IonicContact CZ-OE2 3.04Å; R268-E301 IonicContact NE-OE1 2.65Å; R268-E301 PolarHBondContact NE-OE1 2.99Å; R268-E301 IonicContact NE-OE2 3.34Å; R268-E301 IonicContact NH2-OE1 2.82Å; R268-E301 PolarHBondContact NH2-OE1 3.41Å; R268-E301 IonicContact NH2-OE2 3.28Å; R268-E301 PolarHBondContact NH2-OE2 3.14Å
269	Q	94.8	Very high	94.5	Very high	43 Å²	43	62 Å²	62	20%	0.201	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-45.3	179.8	-166.8	70	33.6	0	0	112	Y240 S265 I266 R267 A271 Y272 D273	Y240-Q269 HydrophobicContact CD1-CB 4.22Å; Y240-Q269 HydrophobicContact CD1-CG 3.63Å; Y240-Q269 HydrophobicContact CE1-CB 3.92Å; Y240-Q269 HydrophobicContact CE1-CG 3.21Å; S265-Q269 PolarHBondContact O-N 3.14Å; I266-Q269 PolarHBondContact O-N 2.91Å; R267-Q269 VanDerWaalsContact C-N 3.3Å; R267-Q269 PolarHBondContact O-N 2.88Å; Q269-A271 PolarHBondContact O-N 3.06Å; Q269-Y272 WeakPolarHBondContact O-CB 3.2Å; Q269-Y272 PolarHBondContact O-N 2.75Å; Q269-D273 WeakPolarHBondContact O-CB 3.38Å; Q269-D273 PolarHBondContact O-N 3.4Å
270	M	95.5	Very high	94.3	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.5	-43.3	176.1	-73.3	173	66.4	0	0	112	Y240 I266 R267 D273 G274 T280 W281 I283 L296 L297	Y240-M270 HydrophobicContact CD2-CG 4.15Å; Y240-M270 HydrophobicContact CE2-CB 4.45Å; Y240-M270 HydrophobicContact CE2-CG 3.18Å; Y240-M270 HydrophobicContact CE2-SD 4.05Å; Y240-M270 WeakPolarHBondContact OH-CA 3.45Å; Y240-M270 WeakPolarHBondContact OH-CG 3.41Å; I266-M270 WeakPolarHBondContact O-CB 3.26Å; I266-M270 VanDerWaalsContact O-CG 3.25Å; I266-M270 WeakPolarHBondContact O-CG 3.29Å; I266-M270 PolarHBondContact O-N 3.26Å; R267-M270 PolarHBondContact O-N 2.05Å; M270-D273 PolarHBondContact O-N 3.05Å; M270-G274 PolarHBondContact O-N 3.39Å; M270-T280 WeakPolarHBondContact O-CG2 3.49Å; M270-W281 HydrophobicContact CE-CB 4.39Å; M270-W281 WeakPolarHBondContact CE-O 3.26Å; M270-I283 HydrophobicContact CE-CD1 3.93Å; M270-I283 HydrophobicContact CE-CG1 4.03Å; M270-I283 HydrophobicContact SD-CD1 3.66Å; M270-I283 HydrophobicContact SD-CG1 4.41Å; M270-L296 HydrophobicContact SD-CD2 4.07Å; M270-L297 HydrophobicContact CB-CD2 3.73Å; M270-L297 HydrophobicContact CB-CG 4.45Å; M270-L297 HydrophobicContact CE-CD1 4.33Å; M270-L297 HydrophobicContact CE-CG 4.21Å
271	A	95.8	Very high	94.2	Very high	43 Å²	43	64.4 Å²	64.4	36%	0.355	33%	0.331	S	S	.	.	H	α-helix	trans	-61.2	-46.8	176.1	0	0	0	0	0	110.7	R267 R268 Q269 G274 T275 L297	R267-A271 WeakPolarHBondContact O-CB 3.1Å; R267-A271 PolarHBondContact O-N 3.49Å; R268-A271 PolarHBondContact O-N 3.03Å; Q269-A271 PolarHBondContact O-N 3.06Å; A271-G274 PolarHBondContact O-N 2.77Å; A271-T275 WeakPolarHBondContact O-CG2 3.4Å; A271-T275 PolarHBondContact O-N 3.26Å; A271-L297 HydrophobicContact CB-CD2 4.13Å
272	Y	95.5	Very high	94.1	Very high	114 Å²	114	67 Å²	67	45%	0.447	34%	0.343	S	S	.	.	H	α-helix	trans	-59.1	-48.1	176.8	-178.7	-99.6	0	0	0	112.4	R268 Q269 G274 T275 R276	R268-Y272 WeakPolarHBondContact O-CB 3.46Å; R268-Y272 PolarHBondContact O-N 2.96Å; Q269-Y272 WeakPolarHBondContact O-CB 3.2Å; Q269-Y272 PolarHBondContact O-N 2.75Å; Y272-G274 VanDerWaalsContact C-N 3.31Å; Y272-G274 PolarHBondContact O-N 3.47Å; Y272-T275 PolarHBondContact O-N 2.69Å; Y272-T275 PolarHBondContact O-OG1 3.18Å; Y272-R276 PolarHBondContact O-N 3.1Å; Y272-R276 PolarHBondContact OH-NE 3.48Å; Y272-R276 PolarHBondContact OH-NH2 2.76Å
273	D	95.4	Very high	94.3	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.011	32%	0.317	C	S	.	.	H	α-helix	trans	-61.5	-40.6	177.7	-68.7	-15.8	0	0	0	111.6	Y240 R244 Q269 M270 T275 R276 G277 M278 T280	Y240-D273 VanDerWaalsContact CE1-OD2 3.22Å; Y240-D273 WeakPolarHBondContact CE1-OD2 3.48Å; Y240-D273 VanDerWaalsContact CZ-OD2 3.31Å; Y240-D273 PolarHBondContact OH-OD2 3.06Å; R244-D273 IonicContact CZ-OD1 3.43Å; R244-D273 IonicContact CZ-OD2 2.69Å; R244-D273 VanDerWaalsContact CZ-OD2 3.29Å; R244-D273 IonicContact NE-OD2 2.79Å; R244-D273 IonicContact NH1-OD1 3.22Å; R244-D273 PolarHBondContact NH1-OD1 3.02Å; R244-D273 IonicContact NH1-OD2 3.98Å; R244-D273 PolarHBondContact NH1-OD2 3.46Å; R244-D273 IonicContact NH2-OD2 3.86Å; Q269-D273 WeakPolarHBondContact O-CB 3.38Å; Q269-D273 PolarHBondContact O-N 3.4Å; M270-D273 PolarHBondContact O-N 3.05Å; D273-T275 VanDerWaalsContact C-N 3.34Å; D273-T275 PolarHBondContact O-N 3.02Å; D273-R276 WeakPolarHBondContact O-CA 3.27Å; D273-R276 WeakPolarHBondContact O-CB 3.24Å; D273-R276 PolarHBondContact O-N 3.31Å; D273-G277 PolarHBondContact O-N 3.22Å; D273-M278 HydrophobicContact CB-CB 4.06Å; D273-M278 HydrophobicContact CB-SD 4.09Å; D273-M278 WeakPolarHBondContact O-CB 3.22Å; D273-M278 PolarHBondContact O-N 3.25Å; D273-T280 HydrophobicContact CB-CG2 4.38Å
274	G	94.7	Very high	94.4	Very high	36 Å²	36	65.5 Å²	65.5	37%	0.371	33%	0.334	S	S	.	.	H	α-helix	trans	-59.3	-41	174.6	0	0	0	0	0	112.9	M270 A271 Y272 R276 G277	M270-G274 PolarHBondContact O-N 3.39Å; A271-G274 PolarHBondContact O-N 2.77Å; Y272-G274 VanDerWaalsContact C-N 3.31Å; Y272-G274 PolarHBondContact O-N 3.47Å; G274-R276 PolarHBondContact O-N 3.15Å; G274-G277 PolarHBondContact O-N 3.29Å
275	T	95.9	Very high	94.5	Very high	117 Å²	117	61.8 Å²	61.8	72%	0.718	32%	0.32	S	S	*	.	H	α-helix	trans	-63.9	-22.5	175.8	66.9	0	0	0	0	113.6	A271 Y272 D273 G277	A271-T275 WeakPolarHBondContact O-CG2 3.4Å; A271-T275 PolarHBondContact O-N 3.26Å; Y272-T275 PolarHBondContact O-N 2.69Å; Y272-T275 PolarHBondContact O-OG1 3.18Å; D273-T275 VanDerWaalsContact C-N 3.34Å; D273-T275 PolarHBondContact O-N 3.02Å; T275-G277 VanDerWaalsContact C-N 3.33Å
276	R	95.6	Very high	94.7	Very high	164 Å²	164	61.4 Å²	61.4	62%	0.619	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	3.3	175.7	-69.9	-174.7	154.3	-163.7	-5.8	113.3	Y272 D273 G274 M278	Y272-R276 PolarHBondContact O-N 3.1Å; Y272-R276 PolarHBondContact OH-NE 3.48Å; Y272-R276 PolarHBondContact OH-NH2 2.76Å; D273-R276 WeakPolarHBondContact O-CA 3.27Å; D273-R276 WeakPolarHBondContact O-CB 3.24Å; D273-R276 PolarHBondContact O-N 3.31Å; G274-R276 PolarHBondContact O-N 3.15Å; R276-M278 HydrophobicContact CB-CG 4.04Å; R276-M278 HydrophobicContact CB-SD 4.4Å; R276-M278 PolarHBondContact O-N 2.8Å
277	G	92.7	Very high	94.7	Very high	70 Å²	70	65.9 Å²	65.9	72%	0.722	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	17	-176	0	0	0	0	0	113.6	D273 G274 T275	D273-G277 PolarHBondContact O-N 3.22Å; G274-G277 PolarHBondContact O-N 3.29Å; T275-G277 VanDerWaalsContact C-N 3.33Å
278	M	91.8	Very high	94.7	Very high	79 Å²	79	66.6 Å²	66.6	39%	0.389	35%	0.347	S	S	.	.			trans	-74.5	151.5	174.2	-56.8	179.9	79.3	0	0	109.9	R244 D273 R276 T280	R244-M278 HydrophobicContact CG-CE 4.35Å; D273-M278 HydrophobicContact CB-CB 4.06Å; D273-M278 HydrophobicContact CB-SD 4.09Å; D273-M278 WeakPolarHBondContact O-CB 3.22Å; D273-M278 PolarHBondContact O-N 3.25Å; R276-M278 HydrophobicContact CB-CG 4.04Å; R276-M278 HydrophobicContact CB-SD 4.4Å; R276-M278 PolarHBondContact O-N 2.8Å; M278-T280 PolarHBondContact O-N 3.3Å
279	R	87.1	Confident	94.6	Very high	178 Å²	178	65.2 Å²	65.2	67%	0.672	36%	0.358	S	S	*	.			trans	-66.3	124.4	174.6	-172.7	-179.8	-179.6	112.4	-7.3	109	D249	D249-R279 IonicContact OD1-CZ 3.55Å; D249-R279 VanDerWaalsContact OD1-CZ 3.28Å; D249-R279 IonicContact OD1-NE 3.29Å; D249-R279 PolarHBondContact OD1-NE 3.43Å; D249-R279 IonicContact OD1-NH2 3.22Å; D249-R279 PolarHBondContact OD1-NH2 3.11Å; D249-R279 IonicContact OD2-NH2 3.3Å
280	T	91.2	Very high	94.6	Very high	47 Å²	47	70.3 Å²	70.3	29%	0.288	39%	0.385	S	S	.	.			trans	-109.8	163.2	173.3	58.7	0	0	0	0	110.3	M270 D273 M278	M270-T280 WeakPolarHBondContact O-CG2 3.49Å; D273-T280 HydrophobicContact CB-CG2 4.38Å; M278-T280 PolarHBondContact O-N 3.3Å
281	W	94.4	Very high	94.6	Very high	24 Å²	24	70.7 Å²	70.7	9%	0.091	39%	0.387	C	S	.	.			trans	-94.2	146.5	175.7	-64.3	-79	0	0	0	111.7	Y240 L243 R244 V250 L252 M270 I283	Y240-W281 HydrophobicContact CD2-CE3 4.17Å; Y240-W281 AromaticContact CD2-CZ3 3.72Å; Y240-W281 HydrophobicContact CD2-CZ3 3.72Å; Y240-W281 AromaticContact CE2-CE3 3.64Å; Y240-W281 HydrophobicContact CE2-CE3 3.64Å; Y240-W281 AromaticContact CE2-CZ3 3.3Å; Y240-W281 HydrophobicContact CE2-CZ3 3.3Å; Y240-W281 AromaticContact CZ-CZ3 3.87Å; L243-W281 HydrophobicContact CB-CH2 3.92Å; L243-W281 HydrophobicContact CB-CZ2 4.03Å; R244-W281 HydrophobicContact CB-CH2 3.92Å; R244-W281 HydrophobicContact CB-CZ3 4.4Å; V250-W281 HydrophobicContact CB-CZ2 4.07Å; V250-W281 HydrophobicContact CG2-CZ2 4.39Å; V250-W281 PolarHBondContact O-NE1 3.07Å; L252-W281 HydrophobicContact CD1-CB 4.32Å; L252-W281 HydrophobicContact CD1-CD2 3.98Å; L252-W281 HydrophobicContact CD1-CG 3.76Å; M270-W281 HydrophobicContact CE-CB 4.39Å; M270-W281 WeakPolarHBondContact CE-O 3.26Å; W281-I283 HydrophobicContact CB-CG1 4.14Å; W281-I283 PolarHBondContact O-N 3.36Å
282	N	92.8	Very high	94.7	Very high	95 Å²	95	71.7 Å²	71.7	51%	0.508	39%	0.392	S	S	.	.			trans	-83.9	101.4	165.7	-175.1	-17.4	0	0	0	108.7	I284 D295	N282-I284 WeakPolarHBondContact OD1-CD1 3.17Å; N282-I284 VanDerWaalsContact OD1-CG1 3.32Å; N282-I284 WeakPolarHBondContact OD1-CG1 3.23Å; N282-D295 PolarHBondContact OD1-OD2 3.08Å
283	I	96	Very high	94.8	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	40%	0.396	C	S	.	.			trans	-101.1	95.6	178.6	-63.5	-174.2	0	0	0	107.6	W257 M263 I266 M270 W281 D295 L296	W257-I283 HydrophobicContact CB-CG2 3.89Å; W257-I283 HydrophobicContact CD2-CG2 3.88Å; W257-I283 HydrophobicContact CG-CG2 3.51Å; M263-I283 HydrophobicContact CE-CG2 4.19Å; I266-I283 HydrophobicContact CD1-CD1 4.34Å; M270-I283 HydrophobicContact CE-CD1 3.93Å; M270-I283 HydrophobicContact CE-CG1 4.03Å; M270-I283 HydrophobicContact SD-CD1 3.66Å; M270-I283 HydrophobicContact SD-CG1 4.41Å; W281-I283 HydrophobicContact CB-CG1 4.14Å; W281-I283 PolarHBondContact O-N 3.36Å; I283-D295 WeakPolarHBondContact O-CA 3.47Å; I283-L296 HydrophobicContact CB-CB 4Å; I283-L296 HydrophobicContact CB-CD2 4.36Å; I283-L296 HydrophobicContact CD1-CD2 4.23Å; I283-L296 HydrophobicContact CG2-CB 4.1Å; I283-L296 HydrophobicContact CG2-CD2 4.19Å; I283-L296 PolarHBondContact O-N 3.07Å
284	I	97.7	Very high	94.8	Very high	70 Å²	70	73.1 Å²	73.1	36%	0.359	42%	0.415	S	S	.	.	B	Isolated β-bridge	trans	-80.4	120.6	174.5	-57.3	-60.8	0	0	0	109.5	N282 S286 D295	N282-I284 WeakPolarHBondContact OD1-CD1 3.17Å; N282-I284 VanDerWaalsContact OD1-CG1 3.32Å; N282-I284 WeakPolarHBondContact OD1-CG1 3.23Å; I284-S286 PolarHBondContact O-N 3.14Å; I284-D295 HydrophobicContact CD1-CB 4.05Å
285	C	97.9	Very high	94.9	Very high	2 Å²	2	72.6 Å²	72.6	1%	0.014	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	128	177.4	-59.7	0	0	0	0	110.5	C259 I291 S292 G293 K294	C259-C285 HydrophobicContact CB-CB 3.67Å; C259-C285 WeakPolarHBondContact CB-SG 3.26Å; C259-C285 WeakPolarHBondContact SG-CA 2.91Å; C259-C285 WeakPolarHBondContact SG-CB 3.16Å; C259-C285 CovalentContact SG-SG 2.02Å; C259-C285 PolarHBondContact SG-SG 3.37Å; C285-I291 WeakPolarHBondContact CB-O 2.98Å; C285-S292 CarbonylContact O-C 3.43Å; C285-S292 WeakPolarHBondContact O-CA 3.23Å; C285-G293 PolarHBondContact O-N 3.5Å; C285-K294 WeakPolarHBondContact CB-O 3.16Å; C285-K294 PolarHBondContact N-O 3.36Å; C285-K294 PolarHBondContact SG-O 3.29Å
286	S	97.7	Very high	95	Very high	39 Å²	39	67 Å²	67	27%	0.273	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-36.4	170.8	-176.7	0	0	0	0	110.8	W257 I284 S292	W257-S286 PolarHBondContact O-N 3Å; I284-S286 PolarHBondContact O-N 3.14Å; S286-S292 WeakPolarHBondContact O-CB 3.41Å; S286-S292 PolarHBondContact O-OG 3.44Å
287	E	95.2	Very high	95	Very high	94 Å²	94	61.8 Å²	61.8	44%	0.439	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	158	-179.7	-69.2	-175.3	-172.3	0	0	110.8	W257 H258 C259	W257-E287 PolarHBondContact O-N 3.27Å; W257-E287 VanDerWaalsContact O-N 3.07Å; H258-E287 CarbonylContact C-O 3.54Å; H258-E287 HydrophobicContact CB-CB 4.31Å; H258-E287 IonicContact CE1-OE2 3.99Å; H258-E287 IonicContact CG-OE2 3.49Å; H258-E287 WeakPolarHBondContact ND1-CB 3.46Å; H258-E287 IonicContact ND1-OE2 3.65Å; H258-E287 PolarHBondContact ND1-OE2 3.49Å; C259-E287 PolarHBondContact N-O 3.05Å
288	P	95.3	Very high	95.2	Very high	48 Å²	48	65.5 Å²	65.5	31%	0.312	35%	0.352	S	S	.	.	S	Bend	cis	-66	165.4	-13.5	27.9	-35	0	0	0	112.5	I290 I291 S292	P288-I290 PolarHBondContact O-N 2.98Å; P288-I290 VanDerWaalsContact O-N 3.1Å; P288-I291 HydrophobicContact CG-CD1 4.25Å; P288-I291 HydrophobicContact CG-CG1 3.93Å; P288-I291 PolarHBondContact O-N 3.37Å; P288-I291 VanDerWaalsContact O-N 3.13Å; P288-S292 PolarHBondContact O-N 3.46Å; P288-S292 VanDerWaalsContact O-N 3.13Å
289	S	94.8	Very high	95.3	Very high	105 Å²	105	61.9 Å²	61.9	73%	0.734	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-55.7	-31.4	-174	51.6	0	0	0	0	114.3	I291 S292	S289-I291 VanDerWaalsContact C-N 3.28Å; S289-I291 PolarHBondContact O-N 3.45Å; S289-S292 WeakPolarHBondContact O-CB 3.46Å; S289-S292 PolarHBondContact O-N 3.42Å
290	I	94.3	Very high	95.7	Very high	150 Å²	150	58.1 Å²	58.1	77%	0.769	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-63.2	-33.5	-178.5	-59.9	167.6	0	0	0	112.2	P288	P288-I290 PolarHBondContact O-N 2.98Å; P288-I290 VanDerWaalsContact O-N 3.1Å
291	I	95.4	Very high	95.6	Very high	7 Å²	7	59.2 Å²	59.2	4%	0.036	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-114.8	11.8	-178.9	58.7	169.8	0	0	0	112.6	C259 C285 P288 S289 G293 K294 L299	C259-I291 HydrophobicContact CB-CD1 3.66Å; C259-I291 VanDerWaalsContact O-CD1 3.25Å; C259-I291 WeakPolarHBondContact O-CD1 3.04Å; C285-I291 WeakPolarHBondContact CB-O 2.98Å; P288-I291 HydrophobicContact CG-CD1 4.25Å; P288-I291 HydrophobicContact CG-CG1 3.93Å; P288-I291 PolarHBondContact O-N 3.37Å; P288-I291 VanDerWaalsContact O-N 3.13Å; S289-I291 VanDerWaalsContact C-N 3.28Å; S289-I291 PolarHBondContact O-N 3.45Å; I291-G293 PolarHBondContact O-N 3.42Å; I291-K294 HydrophobicContact CB-CD 4.31Å; I291-K294 HydrophobicContact CG2-CD 4.39Å; I291-K294 WeakPolarHBondContact O-CB 3.25Å; I291-K294 PolarHBondContact O-N 3.2Å; I291-L299 HydrophobicContact CB-CD2 4.14Å; I291-L299 HydrophobicContact CD1-CD1 3.68Å; I291-L299 HydrophobicContact CG2-CD2 4.07Å
292	S	96.8	Very high	95.5	Very high	65 Å²	65	66 Å²	66	46%	0.455	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	135.7	175.4	-163.4	0	0	0	0	110.6	C285 S286 P288 S289 K294	C285-S292 CarbonylContact O-C 3.43Å; C285-S292 WeakPolarHBondContact O-CA 3.23Å; S286-S292 WeakPolarHBondContact O-CB 3.41Å; S286-S292 PolarHBondContact O-OG 3.44Å; P288-S292 PolarHBondContact O-N 3.46Å; P288-S292 VanDerWaalsContact O-N 3.13Å; S289-S292 WeakPolarHBondContact O-CB 3.46Å; S289-S292 PolarHBondContact O-N 3.42Å; S292-K294 VanDerWaalsContact C-N 3.31Å; S292-K294 PolarHBondContact O-N 3.49Å
293	G	97.1	Very high	95.6	Very high	53 Å²	53	64.5 Å²	64.5	55%	0.546	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.3	-8.2	-177.6	0	0	0	0	0	115.3	C285 I291	C285-G293 PolarHBondContact O-N 3.5Å; I291-G293 PolarHBondContact O-N 3.42Å
294	K	97.2	Very high	95.5	Very high	93 Å²	93	64.5 Å²	64.5	40%	0.404	35%	0.354	S	S	.	.			trans	-83.6	146.2	174.3	-63.2	-174.8	177.4	-177.5	0	111.2	C285 I291 S292 L299	C285-K294 WeakPolarHBondContact CB-O 3.16Å; C285-K294 PolarHBondContact N-O 3.36Å; C285-K294 PolarHBondContact SG-O 3.29Å; I291-K294 HydrophobicContact CB-CD 4.31Å; I291-K294 HydrophobicContact CG2-CD 4.39Å; I291-K294 WeakPolarHBondContact O-CB 3.25Å; I291-K294 PolarHBondContact O-N 3.2Å; S292-K294 VanDerWaalsContact C-N 3.31Å; S292-K294 PolarHBondContact O-N 3.49Å; K294-L299 HydrophobicContact CB-CD2 3.9Å; K294-L299 HydrophobicContact CD-CD2 3.53Å; K294-L299 HydrophobicContact CG-CD2 4.38Å
295	D	97	Very high	95.2	Very high	25 Å²	25	65.4 Å²	65.4	13%	0.134	36%	0.363	C	S	.	.	B	Isolated β-bridge	trans	-75.1	135	169.9	-174.9	-16.4	0	0	0	109.6	N282 I283 I284 L297 Q298	N282-D295 PolarHBondContact OD1-OD2 3.08Å; I283-D295 WeakPolarHBondContact O-CA 3.47Å; I284-D295 HydrophobicContact CD1-CB 4.05Å; D295-L297 PolarHBondContact O-N 3.47Å; D295-L297 VanDerWaalsContact O-N 3.13Å; D295-L297 PolarHBondContact OD1-N 3.29Å; D295-L297 VanDerWaalsContact OD1-N 3.13Å; D295-Q298 HydrophobicContact CB-CG 4.01Å; D295-Q298 WeakPolarHBondContact O-CB 3.41Å; D295-Q298 PolarHBondContact O-N 3.36Å
296	L	96.9	Very high	94.9	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-51.1	-35.3	177.8	-178.7	63.1	0	0	0	113.1	C259 M263 I266 R267 M270 I283 Q298 L299 L304	C259-L296 HydrophobicContact CB-CD1 4.45Å; M263-L296 HydrophobicContact CB-CD1 4.14Å; M263-L296 HydrophobicContact CE-CD2 4.21Å; I266-L296 HydrophobicContact CD1-CD2 3.89Å; I266-L296 HydrophobicContact CG1-CD2 4.03Å; R267-L296 HydrophobicContact CB-CD1 4.18Å; R267-L296 HydrophobicContact CB-CD2 4.25Å; R267-L296 HydrophobicContact CB-CG 4.05Å; R267-L296 HydrophobicContact CG-CD1 4.44Å; R267-L296 HydrophobicContact CG-CG 4.26Å; R267-L296 PolarHBondContact NH1-O 3.39Å; M270-L296 HydrophobicContact SD-CD2 4.07Å; I283-L296 HydrophobicContact CB-CB 4Å; I283-L296 HydrophobicContact CB-CD2 4.36Å; I283-L296 HydrophobicContact CD1-CD2 4.23Å; I283-L296 HydrophobicContact CG2-CB 4.1Å; I283-L296 HydrophobicContact CG2-CD2 4.19Å; I283-L296 PolarHBondContact O-N 3.07Å; L296-Q298 VanDerWaalsContact C-N 3.28Å; L296-Q298 PolarHBondContact O-N 3.49Å; L296-L299 HydrophobicContact CD1-CD1 4.39Å; L296-L304 HydrophobicContact CD1-CD1 4.16Å; L296-L304 HydrophobicContact CD1-CD2 4Å
297	L	95.9	Very high	94	Very high	54 Å²	54	73.7 Å²	73.7	28%	0.283	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-72.5	-19.6	178.1	-74.8	-179.9	0	0	0	113.7	R267 M270 A271 D295	R267-L297 PolarHBondContact NH1-O 3.45Å; M270-L297 HydrophobicContact CB-CD2 3.73Å; M270-L297 HydrophobicContact CB-CG 4.45Å; M270-L297 HydrophobicContact CE-CD1 4.33Å; M270-L297 HydrophobicContact CE-CG 4.21Å; A271-L297 HydrophobicContact CB-CD2 4.13Å; D295-L297 PolarHBondContact O-N 3.47Å; D295-L297 VanDerWaalsContact O-N 3.13Å; D295-L297 PolarHBondContact OD1-N 3.29Å; D295-L297 VanDerWaalsContact OD1-N 3.13Å
298	Q	95.8	Very high	92.5	Very high	147 Å²	147	71.8 Å²	71.8	69%	0.687	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-87.4	-15	179	-65.5	175.6	0.4	0	0	113.7	D295 L296	D295-Q298 HydrophobicContact CB-CG 4.01Å; D295-Q298 WeakPolarHBondContact O-CB 3.41Å; D295-Q298 PolarHBondContact O-N 3.36Å; L296-Q298 VanDerWaalsContact C-N 3.28Å; L296-Q298 PolarHBondContact O-N 3.49Å
299	L	95.5	Very high	90.4	Very high	3 Å²	3	74.8 Å²	74.8	2%	0.016	43%	0.426	C	S	.	.	S	Bend	trans	-71	173.6	177.4	-61.4	179.4	0	0	0	110.8	C259 R267 I291 K294 L296 D303 L304	C259-L299 HydrophobicContact CB-CD1 4.23Å; R267-L299 VanDerWaalsContact NH1-C 3.3Å; R267-L299 PolarHBondContact NH1-O 3.17Å; R267-L299 PolarHBondContact NH2-O 2.94Å; I291-L299 HydrophobicContact CB-CD2 4.14Å; I291-L299 HydrophobicContact CD1-CD1 3.68Å; I291-L299 HydrophobicContact CG2-CD2 4.07Å; K294-L299 HydrophobicContact CB-CD2 3.9Å; K294-L299 HydrophobicContact CD-CD2 3.53Å; K294-L299 HydrophobicContact CG-CD2 4.38Å; L296-L299 HydrophobicContact CD1-CD1 4.39Å; L299-D303 HydrophobicContact CB-CB 4.19Å; L299-D303 HydrophobicContact CD2-CB 4.35Å; L299-L304 HydrophobicContact CD1-CD2 3.81Å
300	D	94.1	Very high	88.4	Confident	99 Å²	99	77.4 Å²	77.4	53%	0.529	43%	0.427	S	S	.	.			trans	-108.3	167.7	161.5	-74.2	-46.5	0	0	0	110.5	R267 E302 D303	R267-D300 IonicContact NH2-OD1 2.89Å; D300-E302 PolarHBondContact O-N 3.39Å; D300-D303 PolarHBondContact N-OD2 3.1Å; D300-D303 WeakPolarHBondContact O-CB 3.24Å; D300-D303 PolarHBondContact O-N 3.02Å
301	E	90.8	Very high	86.2	Confident	71 Å²	71	75.3 Å²	75.3	33%	0.332	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.5	178.2	-68.3	-163.9	-178.8	0	0	113.1	R264 R268 D303 L304	R264-E301 PolarHBondContact NE-O 3.29Å; R264-E301 PolarHBondContact NH2-O 3.48Å; R268-E301 WeakPolarHBondContact CG-OE1 3.45Å; R268-E301 IonicContact CZ-OE1 3.59Å; R268-E301 IonicContact CZ-OE2 3.04Å; R268-E301 IonicContact NE-OE1 2.65Å; R268-E301 PolarHBondContact NE-OE1 2.99Å; R268-E301 IonicContact NE-OE2 3.34Å; R268-E301 IonicContact NH2-OE1 2.82Å; R268-E301 PolarHBondContact NH2-OE1 3.41Å; R268-E301 IonicContact NH2-OE2 3.28Å; R268-E301 PolarHBondContact NH2-OE2 3.14Å; E301-D303 VanDerWaalsContact C-N 3.34Å; E301-L304 PolarHBondContact O-N 3.48Å
302	E	91.4	Very high	83.8	Confident	165 Å²	165	80.7 Å²	80.7	77%	0.771	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-27.3	178.3	-67.3	158.3	-163.7	0	0	112	D300 L304 T305	D300-E302 PolarHBondContact O-N 3.39Å; E302-L304 VanDerWaalsContact C-N 3.29Å; E302-T305 WeakPolarHBondContact O-CG2 3.24Å
303	D	93.8	Very high	81.4	Confident	65 Å²	65	84.8 Å²	84.8	35%	0.348	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-30.2	173.6	-66.6	-40.1	0	0	0	111.6	L299 D300 E301 T305	L299-D303 HydrophobicContact CB-CB 4.19Å; L299-D303 HydrophobicContact CD2-CB 4.35Å; D300-D303 PolarHBondContact N-OD2 3.1Å; D300-D303 WeakPolarHBondContact O-CB 3.24Å; D300-D303 PolarHBondContact O-N 3.02Å; E301-D303 VanDerWaalsContact C-N 3.34Å; D303-T305 VanDerWaalsContact C-N 3.34Å; D303-T305 PolarHBondContact O-N 3.41Å
304	L	94.7	Very high	79	Confident	0 Å²	0	88.9 Å²	88.9	0%	0	47%	0.471	C	S	.	.	S	Bend	trans	-82.4	75.1	-178.2	-64.8	-177.8	0	0	0	110.7	C259 D260 C261 R264 R267 L296 L299 E301 E302	C259-L304 HydrophobicContact CB-CD2 3.93Å; C259-L304 VanDerWaalsContact O-CD2 3.26Å; C259-L304 WeakPolarHBondContact O-CD2 3.05Å; D260-L304 WeakPolarHBondContact O-CB 3.38Å; C261-L304 VanDerWaalsContact CA-O 3.31Å; C261-L304 WeakPolarHBondContact CA-O 3.47Å; C261-L304 PolarHBondContact N-O 3.4Å; R264-L304 HydrophobicContact CB-CD1 4.46Å; R264-L304 HydrophobicContact CG-CB 3.79Å; R264-L304 HydrophobicContact CG-CD1 3.82Å; R264-L304 HydrophobicContact CG-CG 4.5Å; R264-L304 VanDerWaalsContact CZ-O 3.23Å; R264-L304 PolarHBondContact NE-O 3.29Å; R264-L304 PolarHBondContact NH2-O 3.47Å; R267-L304 HydrophobicContact CB-CD1 4.22Å; R267-L304 HydrophobicContact CG-CD1 4.43Å; L296-L304 HydrophobicContact CD1-CD1 4.16Å; L296-L304 HydrophobicContact CD1-CD2 4Å; L299-L304 HydrophobicContact CD1-CD2 3.81Å; E301-L304 PolarHBondContact O-N 3.48Å; E302-L304 VanDerWaalsContact C-N 3.29Å
305	T	92.6	Very high	76.4	Confident	88 Å²	88	93.2 Å²	93.2	54%	0.54	49%	0.49	S	S	.	.			trans	-101	150.9	-178.7	60.5	0	0	0	0	112.5	D260 E302 D303	D260-T305 WeakPolarHBondContact CB-O 3.36Å; E302-T305 WeakPolarHBondContact O-CG2 3.24Å; D303-T305 VanDerWaalsContact C-N 3.34Å; D303-T305 PolarHBondContact O-N 3.41Å
306	C	90.1	Very high	74	Confident	52 Å²	52	101 Å²	101	35%	0.351	53%	0.526	S	S	.	.			trans	-119.1	141.2	167.5	-70.8	0	0	0	0	109	C261 S308	C261-C306 VanDerWaalsContact CA-SG 3.59Å; C261-C306 HydrophobicContact CB-CB 3.84Å; C261-C306 WeakPolarHBondContact CB-SG 3.49Å; C261-C306 PolarHBondContact N-SG 3.22Å; C261-C306 WeakPolarHBondContact SG-CB 3.44Å; C261-C306 CovalentContact SG-SG 2.02Å; C261-C306 PolarHBondContact SG-SG 3.21Å; C306-S308 PolarHBondContact O-N 3.29Å
307	L	78.6	Confident	71.7	Confident	163 Å²	163	111.9 Å²	111.9	85%	0.853	57%	0.567	S	S	*	*			trans	-72	112.2	170.9	-65.4	170.8	0	0	0	108.6
308	S	63.8	Low	69.4	Low	54 Å²	54	116.5 Å²	116.5	38%	0.378	59%	0.591	S	S	.	*			trans	-75.2	144.1	164.6	57.6	0	0	0	0	109.3	C306 E310 N311	C306-S308 PolarHBondContact O-N 3.29Å; S308-E310 PolarHBondContact O-N 3.43Å; S308-N311 PolarHBondContact O-N 3.01Å
309	S	52.6	Low	66.7	Low	111 Å²	111	116.4 Å²	116.4	78%	0.776	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58	-12.3	175.2	19.4	0	0	0	0	113.8
310	E	51.3	Low	64.4	Low	161 Å²	161	122.2 Å²	122.2	75%	0.752	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-22.4	173.9	-66.9	-177.9	161.2	0	0	113.5	S308 N312	S308-E310 PolarHBondContact O-N 3.43Å; E310-N312 VanDerWaalsContact C-N 3.32Å; E310-N312 PolarHBondContact O-N 2.99Å
311	N	48.4	Very low	61.8	Low	105 Å²	105	127.9 Å²	127.9	56%	0.561	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-85.1	-3.1	178.6	-79.4	-17.7	0	0	0	113.9	S308	S308-N311 PolarHBondContact O-N 3.01Å
312	N	45.2	Very low	60.4	Low	121 Å²	121	130.7 Å²	130.7	65%	0.647	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-85.1	-4.4	-178.5	-114.6	-24.8	0	0	0	114.4	E310 N314	E310-N312 VanDerWaalsContact C-N 3.32Å; E310-N312 PolarHBondContact O-N 2.99Å; N312-N314 VanDerWaalsContact C-N 3.31Å
313	L	46.6	Very low	58.7	Low	150 Å²	150	128.9 Å²	128.9	79%	0.785	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-82	-5.5	177.5	-80.4	156	0	0	0	114
314	N	45.8	Very low	56.8	Low	140 Å²	140	132.4 Å²	132.4	75%	0.749	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-111.4	9.4	-175.5	-75.4	-20.9	0	0	0	115.7	N312	N312-N314 VanDerWaalsContact C-N 3.31Å
315	F	44.3	Very low	54.6	Low	184 Å²	184	140.2 Å²	140.2	81%	0.807	75%	0.747	S	S	*	*	S	Bend	trans	-112.9	12.1	176	-90.7	-80.2	0	0	0	115.7
316	H	45.9	Very low	52.2	Low	188 Å²	188	143.5 Å²	143.5	87%	0.87	76%	0.76	S	S	*	*	S	Bend	trans	-118.5	44.8	166.7	-82.2	-50.5	0	0	0	113.3
317	R	48.9	Very low	49.7	Very low	229 Å²	229	149.6 Å²	149.6	86%	0.864	79%	0.788	S	S	*	*			trans	-133	82.3	156.2	-79.4	-171.9	179.3	165.8	1	108.6
318	D	46.4	Very low	47.6	Very low	150 Å²	150	148.6 Å²	148.6	80%	0.802	78%	0.783	S	S	*	*			trans	-178.2	80.7	142	-90.2	-18.6	0	0	0	109.1
319	V	40.2	Very low	46.3	Very low	145 Å²	145	155.9 Å²	155.9	88%	0.879	81%	0.814	S	S	*	*			trans	-135.4	99.5	143.6	-176.8	0	0	0	0	105.9
320	T	46.2	Very low	45.8	Very low	126 Å²	126	159.7 Å²	159.7	77%	0.773	82%	0.817	S	S	*	*			trans	-75	125.5	165.2	28.4	0	0	0	0	109.3
321	V	40.5	Very low	45.3	Very low	217 Å²	217	159.5 Å²	159.5	100%	1.315	82%	0.823	S	S	*	*				-146.8	0	127.4	-176.7	0	0	0	0	107

Retrieved 321 of 321 residues in 54.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).